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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 17401 |  A1JLL |
1 | C26 H25 I N6 O3 S | InChI=1S/C26H25IN6O3S/c1- 16-9-17(2)30-26(29-16)37- 15-24(34)31-20-6-4-5-18(1 0-20)14-36-21-7-8-23(22(2 7)11-21)32-25(35)19-12-28 -33(3)13-19/h4-13H,14-15H 2,1-3H3,(H,31,34)(H,32,35 ); MCPRFXCLTXHJHV-UHFFFAOYSA-N |
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(c( c3)I)NC(=O)c4cnn(c4)C)C; Cn1cc(cn1)C(=O) Nc2ccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c 3)cc2I |
~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]-2-iodanyl-phenyl]-1-methyl-pyrazole-4-carboxamide |
| 17402 |  A1JLN |
2 | C17 H19 N6 O9 P | InChI=1S/C17H19N6O9P/c18- 8-3-7(1-2-9(8)24)17(27)32 -33(28,29)30-4-10-12(25)1 3(26)16(31-10)23-6-22-11- 14(19)20-5-21-15(11)23/h1 -3,5-6,10,12-13,16,24-26H ,4,18H2,(H,28,29)(H2,19,2 0,21)/t10-,12-,13-,16-/m1 /s1; RAKNJTPSSKGACV-XNIJJKJLSA-N |
c1cc(c(cc1C(=O)OP(=O)(O)OCC2C(C(C(O2)n3c nc4c3ncnc4N)O)O)N)O; c1cc(c(cc1C(=O)OP(= O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cn c4c3ncnc4N)O)O)N)O; Nc1cc(ccc1O)C(=O)O[P ](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc 4c(N)ncnc34; Nc1cc(ccc1O)C(=O)O[P](O)(=O )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c (N)ncnc34 |
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 3-azanyl-4-oxidanyl-benzoate |
| 17403 |  A1JLP |
1 | C11 H13 N O S | InChI=1S/C11H13NOS/c1-9(1 3)12-6-7-14-11-5-3-2-4-10 (11)8-12/h2-5H,6-8H2,1H3; UREQFTSPNGUYSJ-UHFFFAOYSA-N |
CC(=O)N1CCSc2ccccc2C1 | 1-(3,5-dihydro-2~{H}-1,4-benzothiazepin-4-yl)ethanone |
| 17404 |  A1JLU |
1 | C26 H28 N6 O | InChI=1S/C26H28N6O/c1-5-1 9-17-24(33)32(22-9-7-6-8- 10-22)25-23(19)18-27-26(2 9-25)28-20-11-13-21(14-12 -20)31(4)16-15-30(2)3/h5- 14,17-18H,1,15-16H2,2-4H3 ,(H,27,28,29); ULJXSBARTUIQRJ-UHFFFAOYSA-N |
CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O) C=C3C=C)c4ccccc4; CN(C)CCN(C)c1ccc(Nc2nc c3C(=CC(=O)N(c4ccccc4)c3n2)C=C)cc1 |
2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethenyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one |
| 17405 |  A1JLW |
2 | C9 H8 B O3 | InChI=1S/C9H10BO3/c11-9(1 2)5-8-6-3-1-2-4-7(6)10-13 -8/h1-4,8H,5,10H2,(H,11,1 2)/q-1/t8-/m1/s1; WSUGZMHWDLEWLO-MRVPVSSYSA-N |
[B-]1c2ccccc2[C@H](O1)CC(=O)O; [B-]1c2cc ccc2C(O1)CC(=O)O; OC(=O)C[C@H]1O[B-]c2cc ccc12; OC(=O)C[CH]1O[B-]c2ccccc12 |
2-[(9~{R})-8-oxa-7-boranidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]ethanoic acid |
| 17406 |  A1JLX |
2 | C19 H19 N3 O5 S | InChI=1S/C19H19N3O5S/c1-9 -11(12(21-27-9)10-7-5-4-6 -8-10)15(23)20-13-16(24)2 2-14(18(25)26)19(2,3)28-1 7(13)22/h4-8,13-14,17H,1- 3H3,(H,20,23)(H,25,26)/t1 3-,14+,17+/m0/s1; UWYHMGVUTGAWSP-JJRVBVJISA-N |
Cc1c(c(no1)c2ccccc2)C(=O)NC3C4N(C3=O)C(C (S4)(C)C)C(=O)O; Cc1onc(c2ccccc2)c1C(=O) N[C@@H]3[C@H]4SC(C)(C)[C@H](N4C3=O)C(O)= O; Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]3[C@@ H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)O; Cc1on c(c2ccccc2)c1C(=O)N[CH]3[CH]4SC(C)(C)[CH ](N4C3=O)C(O)=O |
(2~{R},5~{R},6~{S})-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| 17407 |  A1JLZ |
2 | C23 H18 Cl F3 N2 O2 | InChI=1S/C23H18ClF3N2O2/c 1-14-10-15(19-13-29(8-9-3 0)20-6-7-28-22(24)21(19)2 0)12-18(11-14)31-17-4-2-1 6(3-5-17)23(25,26)27/h2-7 ,10-13,30H,8-9H2,1H3; ZSCUPUNDYXWNOA-UHFFFAOYSA-N |
Cc1cc(cc(c1)Oc2ccc(cc2)C(F)(F)F)c3cn(c4c 3c(ncc4)Cl)CCO; Cc1cc(Oc2ccc(cc2)C(F)(F) F)cc(c1)c3cn(CCO)c4ccnc(Cl)c34 |
2-[4-chloranyl-3-[3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-c]pyridin-1-yl]ethanol |
| 17408 |  A1JM0 |
2 | C18 H18 N6 O3 S2 | InChI=1S/C18H18N6O3S2/c1- 19-15-12-16(21-7-20-15)24 (8-22-12)17-14(26)13(25)1 0(27-17)6-28-18-23-9-4-2- 3-5-11(9)29-18/h2-5,7-8,1 0,13-14,17,25-26H,6H2,1H3 ,(H,19,20,21)/t10-,13-,14 -,17-/m1/s1; LXTIEQOZGSBTHB-IWCJZZDYSA-N |
CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CSc4sc5cc ccc5n4)[C@@H](O)[C@H]3O; CNc1ncnc2n(cnc1 2)[CH]3O[CH](CSc4sc5ccccc5n4)[CH](O)[CH] 3O; CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CSc4nc 5ccccc5s4)O)O; CNc1c2c(ncn1)n(cn2)[C@H]3 [C@@H]([C@@H]([C@H](O3)CSc4nc5ccccc5s4)O )O |
(2~{S},3~{S},4~{R},5~{R})-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol |
| 17409 |  A1JM1 |
2 | C18 H18 N6 O2 S2 | InChI=1S/C18H18N6O2S2/c19 -16-13-17(21-7-20-16)24(8 -22-13)11-5-9(14(25)15(11 )26)6-27-18-23-10-3-1-2-4 -12(10)28-18/h1-4,7-9,11, 14-15,25-26H,5-6H2,(H2,19 ,20,21)/t9-,11-,14-,15+/m 1/s1; HUTNNBOUQMNUAN-VGKMCQHDSA-N |
c1ccc2c(c1)nc(s2)SCC3CC(C(C3O)O)n4cnc5c4 ncnc5N; c1ccc2c(c1)nc(s2)SC[C@H]3C[C@H]( [C@@H]([C@@H]3O)O)n4cnc5c4ncnc5N; Nc1ncn c2n(cnc12)[CH]3C[CH](CSc4sc5ccccc5n4)[CH ](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3C[C@H ](CSc4sc5ccccc5n4)[C@@H](O)[C@H]3O |
(1~{R},2~{S},3~{R},5~{S})-3-(6-aminopurin-9-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)cyclopentane-1,2-diol |
| 17410 |  A1JM2 |
2 | C18 H17 N5 O3 S2 | InChI=1S/C18H17N5O3S2/c19 -15-9-5-6-23(16(9)21-8-20 -15)17-14(25)13(24)11(26- 17)7-27-18-22-10-3-1-2-4- 12(10)28-18/h1-6,8,11,13- 14,17,24-25H,7H2,(H2,19,2 0,21)/t11-,13-,14-,17-/m1 /s1; QDTKJDOQXHAGEV-LSCFUAHRSA-N |
Nc1ncnc2n(ccc12)[CH]3O[CH](CSc4sc5ccccc5 n4)[CH](O)[CH]3O; c1ccc2c(c1)nc(s2)SC[C@ @H]3[C@H]([C@H]([C@@H](O3)n4ccc5c4ncnc5N )O)O; Nc1ncnc2n(ccc12)[C@@H]3O[C@H](CSc4 sc5ccccc5n4)[C@@H](O)[C@H]3O; c1ccc2c(c1 )nc(s2)SCC3C(C(C(O3)n4ccc5c4ncnc5N)O)O |
(2~{R},3~{R},4~{S},5~{S})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)oxolane-3,4-diol |
| 17411 |  A1JM3 |
2 | C35 H43 Cl N8 O5 S | InChI=1S/C35H43ClN8O5S/c1 -19-21(3)50-35-30(19)31(2 3-12-14-24(36)15-13-23)39 -25(32-43-42-22(4)44(32)3 5)17-28(46)37-16-10-8-6-5 -7-9-11-27(45)38-20(2)33( 48)40-26-18-29(47)41-34(2 6)49/h12-15,20,25-26H,5-1 1,16-18H2,1-4H3,(H,37,46) (H,38,45)(H,40,48)(H,41,4 7,49)/t20-,25-,26-/m0/s1; FNQIHJLUXRFLHT-XZZVZQAVSA-N |
C[CH](NC(=O)CCCCCCCCNC(=O)C[CH]1N=C(c2cc c(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)N [CH]5CC(=O)NC5=O; Cc1c(sc-2c1C(=N[C@H](c 3n2c(nn3)C)CC(=O)NCCCCCCCCC(=O)N[C@@H](C )C(=O)N[C@H]4CC(=O)NC4=O)c5ccc(cc5)Cl)C; C[C@H](NC(=O)CCCCCCCCNC(=O)C[C@@H]1N=C( c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C( =O)N[C@H]5CC(=O)NC5=O; Cc1c(sc-2c1C(=NC( c3n2c(nn3)C)CC(=O)NCCCCCCCCC(=O)NC(C)C(= O)NC4CC(=O)NC4=O)c5ccc(cc5)Cl)C |
N-[(2S)-1-[[(3S)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-9-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]nonanamide |
| 17412 |  A1JM8 |
2 | C36 H47 Cl N8 O5 S | InChI=1S/C36H47ClN8O5S/c1 -20-22(3)51-36-31(20)32(2 4-12-14-25(37)15-13-24)40 -27(33-44-43-23(4)45(33)3 6)19-30(48)38-18-10-8-6-5 -7-9-11-28(46)39-21(2)34( 49)41-26-16-17-29(47)42-3 5(26)50/h12-15,21,26-27,3 2,40H,5-11,16-19H2,1-4H3, (H,38,48)(H,39,46)(H,41,4 9)(H,42,47,50)/t21-,26-,2 7-,32-/m0/s1; OOIYQWHOPKEWJX-COYZCZGYSA-N |
Cc1c(sc-2c1C(N[C@H](c3n2c(nn3)C)CC(=O)NC CCCCCCCC(=O)N[C@@H](C)C(=O)N[C@H]4CCC(=O )NC4=O)c5ccc(cc5)Cl)C; C[CH](NC(=O)CCCCC CCCNC(=O)C[CH]1N[CH](c2ccc(Cl)cc2)c3c(C) c(C)sc3n4c(C)nnc14)C(=O)N[CH]5CCC(=O)NC5 =O; C[C@H](NC(=O)CCCCCCCCNC(=O)C[C@@H]1N [C@@H](c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)n nc14)C(=O)N[C@H]5CCC(=O)NC5=O; Cc1c(sc-2 c1C(NC(c3n2c(nn3)C)CC(=O)NCCCCCCCCC(=O)N C(C)C(=O)NC4CCC(=O)NC4=O)c5ccc(cc5)Cl)C |
~{N}-[(2~{S})-1-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-9-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanoylamino]nonanamide |
| 17413 |  A1JMA |
1 | C65 H112 N2 O37 P2 | InChI=1S/C65H112N2O37P2/c 1-29(2)13-9-14-30(3)15-10 -16-31(4)17-11-18-32(5)19 -12-20-33(6)21-22-92-105( 87,88)104-106(89,90)103-6 1-43(67-35(8)74)49(80)56( 40(27-72)97-61)99-60-42(6 6-34(7)73)48(79)57(39(26- 71)96-60)100-64-55(86)58( 47(78)41(98-64)28-91-62-5 3(84)50(81)44(75)36(23-68 )93-62)101-65-59(52(83)46 (77)38(25-70)95-65)102-63 -54(85)51(82)45(76)37(24- 69)94-63/h13,15,17,19,33, 36-65,68-72,75-86H,9-12,1 4,16,18,20-28H2,1-8H3,(H, 66,73)(H,67,74)(H,87,88)( H,89,90)/b30-15+,31-17+,3 2-19-/t33-,36+,37+,38+,39 +,40+,41+,42+,43+,44+,45+ ,46+,47+,48+,49+,50-,51-, 52-,53-,54-,55-,56+,57+,5 8-,59-,60-,61+,62-,63+,64 -,65+/m0/s1; MDEDZFMSXUPMSK-WHWUJTIZSA-N |
C[C@@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C) /CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1[ C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C @@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@ H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]( [C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H] 5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@ @H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O )O)O)NC(=O)C)O)NC(=O)C; CC(CCC=C(C)CCC=C (C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O )OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C( C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)OC5C( C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O )O)NC(=O)C)O)NC(=O)C; C[CH](CCO[P](O)(=O )O[P](O)(=O)O[CH]1O[CH](CO)[CH](O[CH]2O[ CH](CO)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO) [CH](O)[CH](O)[CH]4O)[CH](O)[CH](O[CH]5O [CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](C O)[CH](O)[CH](O)[CH]6O)[CH]3O)[CH](O)[CH ]2NC(C)=O)[CH](O)[CH]1NC(C)=O)CCC=C(C)CC C=C(C)CCC=C(C)CCC=C(C)C; C[C@H](CCO[P](O )(=O)O[P](O)(=O)O[C@H]1O[C@H](CO)[C@@H]( O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H]( CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H ]4O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@ H](O)[C@H](O)[C@@H]5O[C@H]6O[C@H](CO)[C@ @H](O)[C@H](O)[C@@H]6O)[C@@H]3O)[C@H](O) [C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)CC\C =C(C)/CC\C=C(/C)CC\C=C(C)\CCC=C(C)C |
[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{S},4~{S},5~{R},6~{R})-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl] [oxidanyl-[(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphoryl] hydrogen phosphate |
| 17414 |  A1JMB |
1 | C83 H142 N2 O52 P2 | InChI=1S/C83H142N2O52P2/c 1-32(2)13-9-14-33(3)15-10 -16-34(4)17-11-18-35(5)19 -12-20-36(6)21-22-120-138 (114,115)137-139(116,117) 136-76-49(85-38(8)94)58(1 03)69(45(29-92)127-76)130 -75-48(84-37(7)93)57(102) 70(44(28-91)126-75)131-81 -68(113)72(133-83-74(63(1 08)54(99)43(27-90)125-83) 135-80-66(111)61(106)52(9 7)41(25-88)123-80)56(101) 47(129-81)31-119-78-67(11 2)71(55(100)46(128-78)30- 118-77-64(109)59(104)50(9 5)39(23-86)121-77)132-82- 73(62(107)53(98)42(26-89) 124-82)134-79-65(110)60(1 05)51(96)40(24-87)122-79/ h13,15,17,19,36,39-83,86- 92,95-113H,9-12,14,16,18, 20-31H2,1-8H3,(H,84,93)(H ,85,94)(H,114,115)(H,116, 117)/b33-15+,34-17+,35-19 -/t36-,39+,40+,41+,42+,43 +,44+,45+,46+,47+,48+,49+ ,50+,51+,52+,53+,54+,55+, 56+,57+,58+,59-,60-,61-,6 2-,63-,64-,65-,66-,67-,68 -,69+,70+,71-,72-,73-,74- ,75-,76+,77-,78-,79+,80+, 81-,82+,83+/m0/s1; NXZQPIZBBWUWAA-ZUFSPYJNSA-N |
C[C@H](CCO[P](O)(=O)O[P](O)(=O)O[C@H]1O[ C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H]( O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[ C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H] (O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H] (O)[C@@H]6O[C@H]7O[C@H](CO)[C@@H](O)[C@H ](O)[C@@H]7O)[C@@H]4O)[C@@H](O)[C@H](O[C @H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]8O[ C@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]9O )[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O) [C@H]1NC(C)=O)CC\C=C(C)/CC\C=C(/C)CC\C=C (C)\CCC=C(C)C; CC(CCC=C(C)CCC=C(C)CCC=C( C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC1C(C(C (C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3) COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O )OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O )O)O)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C (O9)CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C; C[C@ @H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC =C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H ]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H] ([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([ C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H ]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([ C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]( [C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@ H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O[ C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O )O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO) O)O)O)O)O)NC(=O)C)O)NC(=O)C; C[CH](CCO[P ](O)(=O)O[P](O)(=O)O[CH]1O[CH](CO)[CH](O [CH]2O[CH](CO)[CH](O[CH]3O[CH](CO[CH]4O[ CH](CO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O )[CH](O)[CH](O[CH]6O[CH](CO)[CH](O)[CH]( O)[CH]6O[CH]7O[CH](CO)[CH](O)[CH](O)[CH] 7O)[CH]4O)[CH](O)[CH](O[CH]8O[CH](CO)[CH ](O)[CH](O)[CH]8O[CH]9O[CH](CO)[CH](O)[C H](O)[CH]9O)[CH]3O)[CH](O)[CH]2NC(C)=O)[ CH](O)[CH]1NC(C)=O)CCC=C(C)CCC=C(C)CCC=C (C)CCC=C(C)C |
|
| 17415 |  A1JMC |
1 | C83 H142 N2 O52 P2 | InChI=1S/C83H142N2O52P2/c 1-32(2)13-9-14-33(3)15-10 -16-34(4)17-11-18-35(5)19 -12-20-36(6)21-22-119-138 (114,115)137-139(116,117) 136-76-49(85-38(8)95)58(1 04)68(46(30-93)127-76)129 -75-48(84-37(7)94)57(103) 69(45(29-92)126-75)130-80 -67(113)71(132-82-74(63(1 09)54(100)42(26-89)124-82 )135-83-73(62(108)53(99)4 3(27-90)125-83)134-79-65( 111)60(106)51(97)40(24-87 )122-79)56(102)47(128-80) 31-118-77-66(112)70(55(10 1)44(28-91)120-77)131-81- 72(61(107)52(98)41(25-88) 123-81)133-78-64(110)59(1 05)50(96)39(23-86)121-78/ h13,15,17,19,36,39-83,86- 93,96-113H,9-12,14,16,18, 20-31H2,1-8H3,(H,84,94)(H ,85,95)(H,114,115)(H,116, 117)/b33-15+,34-17+,35-19 -/t36-,39+,40+,41+,42+,43 +,44+,45+,46+,47+,48+,49+ ,50+,51+,52+,53+,54+,55+, 56+,57+,58+,59-,60-,61-,6 2-,63-,64-,65-,66-,67-,68 +,69+,70-,71-,72-,73-,74- ,75-,76+,77-,78+,79+,80-, 81+,82+,83+/m0/s1; PWYYAJLOGRNTHW-AGFGAJIBSA-N |
C[CH](CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH ](CO)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH ](CO[CH]4O[CH](CO)[CH](O)[CH](O[CH]5O[CH ](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[ CH](O)[CH](O)[CH]6O)[CH]4O)[CH](O)[CH](O [CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O[CH]8O [CH](CO)[CH](O)[CH](O)[CH]8O[CH]9O[CH](C O)[CH](O)[CH](O)[CH]9O)[CH]3O)[CH](O)[CH ]2NC(C)=O)[CH](O)[CH]1NC(C)=O)CCC=C(C)CC C=C(C)CCC=C(C)CCC=C(C)C; C[C@H](CCO[P](O )(=O)O[P](O)(=O)O[C@H]1O[C@H](CO)[C@@H]( O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H]( CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5 O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H] 6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@ @H]4O)[C@@H](O)[C@H](O[C@H]7O[C@H](CO)[C @@H](O)[C@H](O)[C@@H]7O[C@H]8O[C@H](CO)[ C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@H](CO) [C@@H](O)[C@H](O)[C@@H]9O)[C@@H]3O)[C@H] (O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)C C\C=C(C)/CC\C=C(/C)CC\C=C(C)\CCC=C(C)C; C[C@@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C) /CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1[ C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C @@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@ H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]( [C@H]([C@@H]([C@H](O4)CO)O)O[C@@H]5[C@H] ([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C @H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O [C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O) O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO )O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9 )CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C; CC(CCC= C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O )OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2 )CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)OC 5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O) O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8 )CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)NC(=O )C)O)NC(=O)C |
; 4'-DEOXY-4'-IODOADRIAMYCIN |
| 17416 |  A1JME |
3 | C28 H48 O5 | InChI=1S/C28H48O5/c1-14(2 )15(3)25(32)26(33)16(4)18 -7-8-19-17-11-22(29)21-12 -23(30)24(31)13-28(21,6)2 0(17)9-10-27(18,19)5/h14- 21,23-26,30-33H,7-13H2,1- 6H3/t15-,16-,17-,18+,19-, 20-,21+,23-,24+,25+,26+,2 7+,28+/m0/s1; VYUIKSFYFRVQLF-YLNAYWRASA-N |
CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[ C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O )[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C; CC(C) [CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2 [CH]3CC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[ CH]3CC[C]12C; CC(C)C(C)C(C(C(C)C1CCC2C1( CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O; C[ C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H ]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O) O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O |
Castasterone; (2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| 17417 |  A1JMF |
3 | C28 H48 O4 | InChI=1S/C28H48O4/c1-15(2 )16(3)25(31)26(32)17(4)20 -7-8-21-19-14-24(30)23-13 -18(29)9-11-28(23,6)22(19 )10-12-27(20,21)5/h15-23, 25-26,29,31-32H,7-14H2,1- 6H3/t16-,17-,18+,19-,20+, 21-,22-,23+,25+,26+,27+,2 8+/m0/s1; SBSXXCCMIWEPEE-SELDZKRUSA-N |
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C @H]2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C )[C@H]([C@@H]([C@@H](C)C(C)C)O)O; CC(C)C (C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC (C4)O)C)C)O)O; CC(C)[C@H](C)[C@@H](O)[C@ H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O )[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12 C; CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH] 1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)CC[C]4(C )[CH]3CC[C]12C |
Typhasterol; (3R,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| 17418 |  A1JMG CHEMBL563853 |
1 | C28 H48 O6 | InChI=1S/C28H48O6/c1-14(2 )15(3)24(31)25(32)16(4)18 -7-8-19-17-13-34-26(33)21 -11-22(29)23(30)12-28(21, 6)20(17)9-10-27(18,19)5/h 14-25,29-32H,7-13H2,1-6H3 /t15-,16+,17+,18-,19+,20+ ,21-,22+,23-,24-,25-,27-, 28-/m1/s1; IXVMHGVQKLDRKH-QHBHMFGVSA-N |
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C @H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4 )O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O; CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C )[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H ](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C; CC (C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C 3(CC(C(C4)O)O)C)C)O)O; CC(C)[CH](C)[CH]( O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3COC(=O) [CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12 C |
24-epi-brassinolide |
| 17419 |  A1JMH |
1 | C29 H50 O6 | InChI=1S/C29H50O6/c1-7-17 (15(2)3)26(33)25(32)16(4) 19-8-9-20-18-14-35-27(34) 22-12-23(30)24(31)13-29(2 2,6)21(18)10-11-28(19,20) 5/h15-26,30-33H,7-14H2,1- 6H3/t16-,17-,18-,19+,20-, 21-,22+,23-,24+,25+,26+,2 8+,29+/m0/s1; HJIKODJJEORHMZ-NNPZUXBVSA-N |
CC[C@H]([C@H]([C@@H]([C@@H](C)[C@H]1CC[C @@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4 [C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C ; CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2COC(= O)C4C3(CC(C(C4)O)O)C)C)O)O; CC[C@@H](C(C )C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@ H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O) C[C@]4(C)[C@H]3CC[C@]12C; CC[CH](C(C)C)[ CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3COC (=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[ C]12C |
28-Homobrassinolide |
| 17420 |  A1JMI |
2 | C28 H50 O4 | InChI=1S/C28H50O4/c1-15(2 )16(3)25(31)26(32)17(4)20 -9-10-21-19-8-7-18-13-23( 29)24(30)14-28(18,6)22(19 )11-12-27(20,21)5/h15-26, 29-32H,7-14H2,1-6H3/t16-, 17-,18-,19-,20+,21-,22-,2 3-,24+,25+,26+,27+,28-/m0 /s1; VXBLCLVRWCLEOX-BFYSZXNBSA-N |
CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(C C(C(C4)O)O)C)C)O)O; C[C@@H]([C@H]1CC[C@@ H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3( C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@ @H](C)C(C)C)O)O; CC(C)[CH](C)[CH](O)[CH] (O)[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH]( O)[CH](O)C[C]4(C)[CH]3CC[C]12C; CC(C)[C@ H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[ C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C @]4(C)[C@H]3CC[C@]12C |
6-deoxocastasterone; (2R,3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S,3R,4R,5S)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol |
| 17421 |  A1JMO |
2 | C27 H32 F3 N4 O P | InChI=1S/C27H32F3N4OP/c1- 33-16-13-21(14-17-33)32-2 5-7-4-8-26-24(25)18-22(34 (26)19-27(28,29)30)6-5-15 -31-20-9-11-23(12-10-20)3 6(2,3)35/h4,7-12,18,21,31 -32H,13-17,19H2,1-3H3; TWHPNHHZQSJOEI-UHFFFAOYSA-N |
CN1CCC(CC1)Nc2cccc3n(CC(F)(F)F)c(cc23)C# CCNc4ccc(cc4)[P](C)(C)=O; CN1CCC(CC1)Nc2 cccc3c2cc(n3CC(F)(F)F)C#CCNc4ccc(cc4)P(= O)(C)C |
2-[3-[(4-dimethylphosphorylphenyl)amino]prop-1-ynyl]-~{N}-(1-methylpiperidin-4-yl)-1-[2,2,2-tris(fluoranyl)ethyl]indol-4-amine |
| 17422 |  A1JMP |
2 | C27 H32 F4 N8 O2 | InChI=1S/C27H32F4N8O2/c1- 26(2,3)39-13-16(11-33-39) 25(40)32-12-23-35-24(36-4 1-23)22-10-17-19(34-20-8- 9-37(4)14-18(20)28)6-5-7- 21(17)38(22)15-27(29,30)3 1/h5-7,10-11,13,18,20,34H ,8-9,12,14-15H2,1-4H3,(H, 32,40)/t18-,20+/m0/s1; APGSTYOSWBCZAT-AZUAARDMSA-N |
CN1CC[CH](Nc2cccc3n(CC(F)(F)F)c(cc23)c4n oc(CNC(=O)c5cnn(c5)C(C)(C)C)n4)[CH](F)C1 ; CC(C)(C)n1cc(cn1)C(=O)NCc2nc(no2)c3cc4 c(cccc4n3CC(F)(F)F)N[C@@H]5CCN(C[C@@H]5F )C; CN1CC[C@@H](Nc2cccc3n(CC(F)(F)F)c(cc 23)c4noc(CNC(=O)c5cnn(c5)C(C)(C)C)n4)[C@ @H](F)C1; CC(C)(C)n1cc(cn1)C(=O)NCc2nc(n o2)c3cc4c(cccc4n3CC(F)(F)F)NC5CCN(CC5F)C |
1-~{tert}-butyl-~{N}-[[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide |
| 17423 |  A1JMR |
6 | C28 H31 F4 N5 O2 | InChI=1S/C28H31F4N5O2/c1- 33-27(38)18-9-10-24(26(14 -18)39-3)34-12-5-6-19-15- 20-22(35-23-11-13-36(2)16 -21(23)29)7-4-8-25(20)37( 19)17-28(30,31)32/h4,7-10 ,14-15,21,23,34-35H,11-13 ,16-17H2,1-3H3,(H,33,38)/ t21-,23+/m0/s1; NKRKBSQLUPEVCZ-JTHBVZDNSA-N |
CNC(=O)c1ccc(NCC#Cc2cc3c(N[CH]4CCN(C)C[C H]4F)cccc3n2CC(F)(F)F)c(OC)c1; CNC(=O)c1 ccc(c(c1)OC)NCC#Cc2cc3c(cccc3n2CC(F)(F)F )N[C@@H]4CCN(C[C@@H]4F)C; CNC(=O)c1ccc(c (c1)OC)NCC#Cc2cc3c(cccc3n2CC(F)(F)F)NC4C CN(CC4F)C; CNC(=O)c1ccc(NCC#Cc2cc3c(N[C@ @H]4CCN(C)C[C@@H]4F)cccc3n2CC(F)(F)F)c(O C)c1 |
4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide |
| 17424 |  A1JMS |
2 | C21 H23 N3 | InChI=1S/C21H23N3/c1-3-24 -20(10-7-13-23-19-8-5-4-6 -9-19)15-18-14-17(16-22-2 )11-12-21(18)24/h4-6,8-9, 11-12,14-15,22-23H,3,13,1 6H2,1-2H3; CKGXUTKMDFLIHM-UHFFFAOYSA-N |
CCn1c2ccc(cc2cc1C#CCNc3ccccc3)CNC; CCn1c (cc2cc(CNC)ccc12)C#CCNc3ccccc3 |
~{N}-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline |
| 17425 |  A1JMT |
3 | C25 H45 O4 P | InChI=1S/C25H45O4P/c1-21( 2)11-7-12-22(3)13-8-14-23 (4)15-9-16-24(5)17-10-18- 25(6)19-20-29-30(26,27)28 /h11,13,15,17,25H,7-10,12 ,14,16,18-20H2,1-6H3,(H2, 26,27,28)/b22-13+,23-15+, 24-17-/t25-/m0/s1; GYBNOAFGEKAZTA-YGRYZZMUSA-N |
CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCO P(=O)(O)O; C[C@H](CCO[P](O)(O)=O)CC\C=C( C)/CC\C=C(/C)CC\C=C(C)\CCC=C(C)C; C[C@@H ](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C (C)C)CCOP(=O)(O)O; C[CH](CCO[P](O)(O)=O) CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
[(3S,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] dihydrogen phosphate |
| 17426 |  A1JMY CHEMBL3577854 |
2 | C15 H23 N7 O4 S | InChI=1S/C15H23N7O4S/c1-2 -17-15(25)18-3-4-27-5-8-1 0(23)11(24)14(26-8)22-7-2 1-9-12(16)19-6-20-13(9)22 /h6-8,10-11,14,23-24H,2-5 H2,1H3,(H2,16,19,20)(H2,1 7,18,25)/t8-,10-,11-,14-/ m1/s1; CACMCLIHCDTJHL-IDTAVKCVSA-N |
CCNC(=O)NCCSCC1C(C(C(O1)n2cnc3c2ncnc3N)O )O; CCNC(=O)NCCSC[C@H]1O[C@H]([C@H](O)[C @@H]1O)n2cnc3c(N)ncnc23; CCNC(=O)NCCSC[C @@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3 N)O)O; CCNC(=O)NCCSC[CH]1O[CH]([CH](O)[C H]1O)n2cnc3c(N)ncnc23 |
1-[2-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]ethyl]-3-ethyl-urea |
| 17427 |  A1JMZ |
2 | C20 H19 N5 O3 S | InChI=1S/C20H19N5O3S/c21- 18-15-19(23-9-22-18)25(10 -24-15)20-17(27)16(26)14( 28-20)8-29-13-6-5-11-3-1- 2-4-12(11)7-13/h1-7,9-10, 14,16-17,20,26-27H,8H2,(H 2,21,22,23)/t14-,16-,17-, 20-/m1/s1; XAHNLKRFYZFWKR-WVSUBDOOSA-N |
c1ccc2cc(ccc2c1)SCC3C(C(C(O3)n4cnc5c4ncn c5N)O)O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](C Sc4ccc5ccccc5c4)[C@@H](O)[C@H]3O; c1ccc2 cc(ccc2c1)SC[C@@H]3[C@H]([C@H]([C@@H](O3 )n4cnc5c4ncnc5N)O)O; Nc1ncnc2n(cnc12)[CH ]3O[CH](CSc4ccc5ccccc5c4)[CH](O)[CH]3O |
(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-(naphthalen-2-ylsulfanylmethyl)oxolane-3,4-diol |
| 17428 |  A1JN0 |
1 | C24 H34 N6 O S | InChI=1S/C24H34N6OS/c1-4- 28(5-2)14-6-13-25-22(31)2 0-11-15-29(16-12-20)24-27 -30-17-21(26-23(30)32-24) 19-9-7-18(3)8-10-19/h7-10 ,17,20H,4-6,11-16H2,1-3H3 ,(H,25,31); SQIJMYYLWKQPLM-UHFFFAOYSA-N |
CCN(CC)CCCNC(=O)C1CCN(CC1)c2nn3cc(nc3s2) c4ccc(cc4)C; CCN(CC)CCCNC(=O)C1CCN(CC1)c 2sc3nc(cn3n2)c4ccc(C)cc4 |
~{N}-[3-(diethylamino)propyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide |
| 17429 |  A1JN2 |
1 | C27 H28 F3 N6 O3 | InChI=1S/C27H27F3N6O3/c1- 16-22(24(37)39-5)23(21-10 -9-17(15-31)13-18(21)11-1 2-36(2,3)4)35-25(32-33-26 (35)38)34(16)20-8-6-7-19( 14-20)27(28,29)30/h6-10,1 3-14,23H,11-12H2,1-5H3/p+ 1/t23-/m1/s1; IHTRPSMRGYWUIM-HSZRJFAPSA-O |
CC1=C(C(N2C(=O)NN=C2N1c3cccc(c3)C(F)(F)F )c4ccc(cc4CC[N+](C)(C)C)C#N)C(=O)OC; CC1 =C([C@H](N2C(=O)NN=C2N1c3cccc(c3)C(F)(F) F)c4ccc(cc4CC[N+](C)(C)C)C#N)C(=O)OC; CO C(=O)C1=C(C)N(c2cccc(c2)C(F)(F)F)C3=NNC( =O)N3[CH]1c4ccc(cc4CC[N+](C)(C)C)C#N; CO C(=O)C1=C(C)N(c2cccc(c2)C(F)(F)F)C3=NNC( =O)N3[C@@H]1c4ccc(cc4CC[N+](C)(C)C)C#N |
methyl (5~{R})-5-[4-cyano-2-[2-(trimethyl-$l^{4}-azanyl)ethyl]phenyl]-7-methyl-3-oxidanylidene-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate |
| 17430 |  A1JN3 |
2 | C27 H31 N O10 | InChI=1S/C27H31NO10/c1-10 -22(30)14(28)7-17(37-10)3 8-16-9-27(35,11(2)29)8-13 -19(16)26(34)21-20(24(13) 32)23(31)12-5-4-6-15(36-3 )18(12)25(21)33/h4-6,10-1 1,14,16-17,22,29-30,32,34 -35H,7-9,28H2,1-3H3/t10-, 11+,14-,16-,17-,22+,27-/m 0/s1; HJEZFVLKJYFNQW-OXCIRTNUSA-N |
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[ C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c 3C(=O)c12)[C@@H](C)O; COc1cccc2C(=O)c3c( O)c4C[C](O)(C[CH](O[CH]5C[CH](N)[CH](O)[ CH](C)O5)c4c(O)c3C(=O)c12)[CH](C)O; CC1C (C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5ccc c(c5C4=O)OC)O)(C(C)O)O)N)O; C[C@H]1[C@H] ([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c 4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)([C@@H](C )O)O)N)O |
(7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-[(1~{R})-1-oxidanylethyl]-8,10-dihydro-7~{H}-tetracene-5,12-dione |
| 17431 |  A1JN7 |
2 | C27 H32 O8 | InChI=1S/C27H32O8/c1-12-2 3(34-13(2)28)21-14-9-18-2 6(5)8-7-19(30)25(3,4)17(2 6)11-20(31)27(18,6)35-16( 14)10-15(29)22(21)24(32)3 3-12/h7-8,10,12,17-18,20, 23,29,31H,9,11H2,1-6H3/t1 2-,17+,18+,20+,23+,26+,27 -/m1/s1; DYQKBALSPZQWQD-FWEFFTEASA-N |
C[CH]1OC(=O)c2c(O)cc3O[C]4(C)[CH](O)C[CH ]5C(C)(C)C(=O)C=C[C]5(C)[CH]4Cc3c2[CH]1O C(C)=O; C[C@@H]1[C@@H](c2c3c(cc(c2C(=O)O 1)O)O[C@@]4([C@@H](C3)[C@]5(C=CC(=O)C([C @@H]5C[C@@H]4O)(C)C)C)C)OC(=O)C; CC1C(c2 c3c(cc(c2C(=O)O1)O)OC4(C(C3)C5(C=CC(=O)C (C5CC4O)(C)C)C)C)OC(=O)C; C[C@H]1OC(=O)c 2c(O)cc3O[C@@]4(C)[C@@H](O)C[C@H]5C(C)(C )C(=O)C=C[C@]5(C)[C@@H]4Cc3c2[C@H]1OC(C) =O |
Chrodrimanin B |
| 17432 |  A1JNC |
1 | C21 H19 Cl N4 O3 | InChI=1S/C21H19ClN4O3/c1- 13-10-16(22)11-23-20(13)2 6-12-24(14(2)15-6-4-3-5-7 -15)21(29)18-19(28)17(27) 8-9-25(18)26/h3-11,14,28H ,12H2,1-2H3/t14-/m0/s1; PABWYWJUARAIGO-AWEZNQCLSA-N |
Cc1cc(cnc1N2CN(C(=O)C3=C(C(=O)C=CN32)O)C (C)c4ccccc4)Cl; C[C@H](N1CN(N2C=CC(=O)C( =C2C1=O)O)c3ncc(Cl)cc3C)c4ccccc4; Cc1cc( cnc1N2CN(C(=O)C3=C(C(=O)C=CN32)O)[C@@H]( C)c4ccccc4)Cl; C[CH](N1CN(N2C=CC(=O)C(=C 2C1=O)O)c3ncc(Cl)cc3C)c4ccccc4 |
1-(5-chloranyl-3-methyl-pyridin-2-yl)-5-oxidanyl-3-[(1~{S})-1-phenylethyl]-2~{H}-pyrido[2,1-f][1,2,4]triazine-4,6-dione |
| 17433 |  A1JND |
0 | C8 H14 N4 O2 | InChI=1S/C8H14N4O2/c13-8( 14)6-9-4-2-1-3-7-5-10-12- 11-7/h5,9H,1-4,6H2,(H,13, 14)(H,10,11,12); YVWDYFSSHOFRFU-UHFFFAOYSA-N |
c1c(nn[nH]1)CCCCNCC(=O)O; OC(=O)CNCCCCc1 c[nH]nn1 |
2-[4-(1H-1,2,3-triazol-4-yl)butylamino]ethanoic acid |
| 17434 |  A1JNF |
2 | C29 H33 Cl N4 O4 S | InChI=1S/C29H33ClN4O4S/c1 -19(35)34(18-21-12-8-13-2 2(30)16-21)33-26(36)23(17 -20-10-6-5-7-11-20)31-28( 38)25(29(2,3)4)32-27(37)2 4-14-9-15-39-24/h5-16,23, 25H,17-18H2,1-4H3,(H,31,3 8)(H,32,37)(H,33,36)/t23- ,25+/m0/s1; KIRKUISXIIXMJH-UKILVPOCSA-N |
CC(=O)N(Cc1cccc(c1)Cl)NC(=O)C(Cc2ccccc2) NC(=O)C(C(C)(C)C)NC(=O)c3cccs3; CC(=O)N( Cc1cccc(Cl)c1)NC(=O)[CH](Cc2ccccc2)NC(=O )[CH](NC(=O)c3sccc3)C(C)(C)C; CC(=O)N(Cc 1cccc(c1)Cl)NC(=O)[C@H](Cc2ccccc2)NC(=O) [C@H](C(C)(C)C)NC(=O)c3cccs3; CC(=O)N(Cc 1cccc(Cl)c1)NC(=O)[C@H](Cc2ccccc2)NC(=O) [C@@H](NC(=O)c3sccc3)C(C)(C)C |
N-[(2S)-1-[[(2S)-1-[2-[(3-chlorophenyl)methyl]-2-ethanoyl-hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide |
| 17435 |  A1JNG |
1 | C11 H13 N9 O | InChI=1S/C11H13N9O/c12-11 (13)14-1-2-20-4-7(18-19-2 0)6-3-15-9-8(6)10(21)17-5 -16-9/h3-5H,1-2H2,(H4,12, 13,14)(H2,15,16,17,21); XNDGGOMEAZTNJB-UHFFFAOYSA-N |
NC(=N)NCCn1cc(nn1)c2c[nH]c3N=CNC(=O)c23; c1c(c2c([nH]1)N=CNC2=O)c3cn(nn3)CCNC(=N )N; [H]/N=C(/N)\NCCn1cc(nn1)c2c[nH]c3c2C (=O)NC=N3 |
1-[2-[4-(4-oxidanylidene-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-1,2,3-triazol-1-yl]ethyl]guanidine |
| 17436 |  A1JNJ |
1 | C9 H7 N3 O2 | InChI=1S/C9H7N3O2/c13-9(1 4)6-1-2-8(10-3-6)7-4-11-1 2-5-7/h1-5H,(H,11,12)(H,1 3,14); HOWKGKXZKIRBGK-UHFFFAOYSA-N |
c1cc(ncc1C(=O)O)c2c[nH]nc2; OC(=O)c1ccc( nc1)c2c[nH]nc2 |
6-(1~{H}-pyrazol-4-yl)pyridine-3-carboxylic acid |
| 17437 |  A1JNK |
1 | C19 H24 N6 | InChI=1S/C19H24N6/c1-12-9 -17(21-15-5-4-8-25(3)11-1 5)23-24-18(12)16-7-6-14-1 0-13(2)20-19(14)22-16/h6- 7,9-10,15H,4-5,8,11H2,1-3 H3,(H,20,22)(H,21,23)/t15 -/m1/s1; HNZKLSSKFNXSQZ-OAHLLOKOSA-N |
CN1CCC[C@H](C1)Nc2cc(C)c(nn2)c3ccc4cc(C) [nH]c4n3; Cc1cc(nnc1c2ccc3cc([nH]c3n2)C) N[C@@H]4CCCN(C4)C; CN1CCC[CH](C1)Nc2cc(C )c(nn2)c3ccc4cc(C)[nH]c4n3; Cc1cc(nnc1c2 ccc3cc([nH]c3n2)C)NC4CCCN(C4)C |
5-methyl-~{N}-[(3~{R})-1-methylpiperidin-3-yl]-6-(2-methyl-1~{H}-pyrrolo[2,3-b]pyridin-6-yl)pyridazin-3-amine |
| 17438 |  A1JNL |
0 | C9 H16 N4 O2 | InChI=1S/C9H16N4O2/c1-2-8 (9(14)15)10-5-3-4-7-6-11- 13-12-7/h6,8,10H,2-5H2,1H 3,(H,14,15)(H,11,12,13); AQSGRKIGGFRPHI-UHFFFAOYSA-N |
CC[C@@H](NCCCc1c[nH]nn1)C(O)=O; CCC(C(=O )O)NCCCc1c[nH]nn1; CC[C@@H](C(=O)O)NCCCc 1c[nH]nn1; CC[CH](NCCCc1c[nH]nn1)C(O)=O |
(2~{S})-2-[3-(1~{H}-1,2,3-triazol-4-yl)propylamino]butanoic acid |
| 17439 |  A1JNN |
1 | C12 H14 Cl2 N2 O5 S | InChI=1S/C12H14Cl2N2O5S/c 1-7(16-22(19,20)21)11(6-1 7)15-12(18)5-8-9(13)3-2-4 -10(8)14/h2-4,6-7,11,16H, 5H2,1H3,(H,15,18)(H,19,20 ,21)/t7-,11+/m0/s1; XCZHYYKMXAQGGY-WRWORJQWSA-N |
C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)Cc1c(Cl )cccc1Cl)C=O; CC(C(C=O)NC(=O)Cc1c(cccc1C l)Cl)NS(=O)(=O)O; C[C@@H]([C@@H](C=O)NC( =O)Cc1c(cccc1Cl)Cl)NS(=O)(=O)O; C[CH](N[ S](O)(=O)=O)[CH](NC(=O)Cc1c(Cl)cccc1Cl)C =O |
[(2~{S},3~{S})-3-[2-[2,6-bis(chloranyl)phenyl]ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| 17440 |  A1JNO |
1 | C14 H17 N3 O5 S | InChI=1S/C14H17N3O5S/c1-9 (17-23(20,21)22)13(8-18)1 6-14(19)6-10-7-15-12-5-3- 2-4-11(10)12/h2-5,7-9,13, 15,17H,6H2,1H3,(H,16,19)( H,20,21,22)/t9-,13+/m0/s1; FEVJVGGIZVCVCL-TVQRCGJNSA-N |
C[C@@H]([C@@H](C=O)NC(=O)Cc1c[nH]c2c1ccc c2)NS(=O)(=O)O; C[C@H](N[S](O)(=O)=O)[C@ H](NC(=O)Cc1c[nH]c2ccccc12)C=O; CC(C(C=O )NC(=O)Cc1c[nH]c2c1cccc2)NS(=O)(=O)O; C[ CH](N[S](O)(=O)=O)[CH](NC(=O)Cc1c[nH]c2c cccc12)C=O |
[(2~{S},3~{S})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| 17441 |  A1JNP |
1 | C10 H16 N6 O6 S2 | InChI=1S/C10H16N6O6S2/c1- 3-22-14-7(8-13-10(11)23-1 5-8)9(18)12-6(4-17)5(2)16 -24(19,20)21/h4-6,16H,3H2 ,1-2H3,(H,12,18)(H2,11,13 ,15)(H,19,20,21)/b14-7-/t 5-,6+/m0/s1; YJODLKIDYNCMJI-SVWSLXTCSA-N |
CCO\N=C(/C(=O)N[C@H](C=O)[C@H](C)N[S](O) (=O)=O)c1nsc(N)n1; CCO/N=C(/c1nc(sn1)N)\ C(=O)N[C@H](C=O)[C@H](C)NS(=O)(=O)O; CCO N=C(c1nc(sn1)N)C(=O)NC(C=O)C(C)NS(=O)(=O )O; CCON=C(C(=O)N[CH](C=O)[CH](C)N[S](O) (=O)=O)c1nsc(N)n1 |
[(2~{S},3~{S})-3-[[(2~{Z})-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-ethoxyimino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| 17442 |  A1JNQ |
1 | C15 H23 N5 O8 S2 | InChI=1S/C15H23N5O8S2/c1- 8(20-30(24,25)26)9(5-21)1 7-13(23)12(10-7-29-14(16) 18-10)19-27-6-11(22)28-15 (2,3)4/h5,7-9,20H,6H2,1-4 H3,(H2,16,18)(H,17,23)(H, 24,25,26)/t8-,9+/m0/s1; VKHLDMKKUGJGSJ-DTWKUNHWSA-N |
C[C@@H]([C@@H](C=O)NC(=O)C(=NOCC(=O)OC(C )(C)C)c1csc(n1)N)NS(=O)(=O)O; C[C@H](N[S ](O)(=O)=O)[C@H](NC(=O)C(=N/OCC(=O)OC(C) (C)C)\c1csc(N)n1)C=O; CC(C(C=O)NC(=O)C(= NOCC(=O)OC(C)(C)C)c1csc(n1)N)NS(=O)(=O)O ; C[CH](N[S](O)(=O)=O)[CH](NC(=O)C(=NOCC (=O)OC(C)(C)C)c1csc(N)n1)C=O |
[(2~{S},3~{S})-3-[[2-(2-azanylidene-1,3-thiazolidin-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| 17443 |  A1JNR |
1 | C13 H18 N2 O6 S | InChI=1S/C13H18N2O6S/c1-9 (15-22(18,19)20)11(8-16)1 4-13(17)12(21-2)10-6-4-3- 5-7-10/h3-9,11-12,15H,1-2 H3,(H,14,17)(H,18,19,20)/ t9-,11+,12+/m0/s1; WRDCCGAGZXRUEI-MVWJERBFSA-N |
CO[CH](C(=O)N[CH](C=O)[CH](C)N[S](O)(=O) =O)c1ccccc1; C[C@@H]([C@@H](C=O)NC(=O)[C @@H](c1ccccc1)OC)NS(=O)(=O)O; CO[C@@H](C (=O)N[C@H](C=O)[C@H](C)N[S](O)(=O)=O)c1c cccc1; CC(C(C=O)NC(=O)C(c1ccccc1)OC)NS(= O)(=O)O |
[(2~{S},3~{S})-3-[[(2~{R})-2-methoxy-2-phenyl-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| 17444 |  A1JNT |
1 | C12 H17 N5 O8 S2 | InChI=1S/C12H17N5O8S2/c1- 6(17-27(21,22)23)7(3-18)1 4-11(20)10(8-5-26-12(13)1 5-8)16-25-4-9(19)24-2/h3, 5-7,17H,4H2,1-2H3,(H2,13, 15)(H,14,20)(H,21,22,23)/ t6-,7+/m0/s1; JSCREYWKSPYSLM-NKWVEPMBSA-N |
COC(=O)CO/N=C(/C(=O)N[C@H](C=O)[C@H](C)N [S](O)(=O)=O)c1csc(N)n1; CC(C(C=O)NC(=O) C(=NOCC(=O)OC)c1csc(n1)N)NS(=O)(=O)O; CO C(=O)CON=C(C(=O)N[CH](C=O)[CH](C)N[S](O) (=O)=O)c1csc(N)n1; C[C@@H]([C@@H](C=O)NC (=O)C(=NOCC(=O)OC)c1csc(n1)N)NS(=O)(=O)O |
[(2~{S},3~{S})-3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methoxy-2-oxidanylidene-ethoxy)imino-ethanoyl]amino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| 17445 |  A1JNU |
1 | C12 H16 N2 O5 S | InChI=1S/C12H16N2O5S/c1-9 (14-20(17,18)19)11(8-15)1 3-12(16)7-10-5-3-2-4-6-10 /h2-6,8-9,11,14H,7H2,1H3, (H,13,16)(H,17,18,19)/t9- ,11+/m0/s1; MXOSDGDTFWBXRG-GXSJLCMTSA-N |
C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)Cc1cccc c1)C=O; CC(C(C=O)NC(=O)Cc1ccccc1)NS(=O)( =O)O; C[C@@H]([C@@H](C=O)NC(=O)Cc1ccccc1 )NS(=O)(=O)O; C[CH](N[S](O)(=O)=O)[CH](N C(=O)Cc1ccccc1)C=O |
[(2~{S},3~{S})-4-oxidanylidene-3-(2-phenylethanoylamino)butan-2-yl]sulfamic acid |
| 17446 |  A1JNV |
1 | C12 H15 N3 O7 S | InChI=1S/C12H15N3O7S/c1-8 (14-23(20,21)22)11(7-16)1 3-12(17)6-9-2-4-10(5-3-9) 15(18)19/h2-5,7-8,11,14H, 6H2,1H3,(H,13,17)(H,20,21 ,22)/q+1/t8-,11+/m0/s1; RBVFUHAZZVUETC-GZMMTYOYSA-N |
C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)Cc1ccc( cc1)[N+](=O)=O)C=O; CC(C(C=O)NC(=O)Cc1cc c(cc1)[N+](=O)=O)NS(=O)(=O)O; C[C@@H]([C @@H](C=O)NC(=O)Cc1ccc(cc1)[N+](=O)=O)NS( =O)(=O)O; C[CH](N[S](O)(=O)=O)[CH](NC(=O )Cc1ccc(cc1)[N+](=O)=O)C=O |
[(2~{S},3~{S})-3-[2-(4-nitrophenyl)ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| 17447 |  A1JNW |
1 | C12 H16 N2 O6 S | InChI=1S/C12H16N2O6S/c1-8 (14-21(18,19)20)11(7-15)1 3-12(17)6-9-3-2-4-10(16)5 -9/h2-5,7-8,11,14,16H,6H2 ,1H3,(H,13,17)(H,18,19,20 )/t8-,11+/m0/s1; BGKLUSZMZVNGOO-GZMMTYOYSA-N |
CC(C(C=O)NC(=O)Cc1cccc(c1)O)NS(=O)(=O)O; C[C@@H]([C@@H](C=O)NC(=O)Cc1cccc(c1)O)N S(=O)(=O)O; C[CH](N[S](O)(=O)=O)[CH](NC( =O)Cc1cccc(O)c1)C=O; C[C@H](N[S](O)(=O)= O)[C@H](NC(=O)Cc1cccc(O)c1)C=O |
[(2~{S},3~{S})-3-[2-(3-hydroxyphenyl)ethanoylamino]-4-oxidanylidene-butan-2-yl]sulfamic acid |
| 17448 |  A1JNX |
0 | C6 H10 N4 O2 | InChI=1S/C6H10N4O2/c11-6( 12)4-7-2-1-5-3-8-10-9-5/h 3,7H,1-2,4H2,(H,11,12)(H, 8,9,10); ZMVKYAWXVJZHSA-UHFFFAOYSA-N |
OC(=O)CNCCc1c[nH]nn1; c1c(nn[nH]1)CCNCC( =O)O |
2-[2-(1~{H}-1,2,3-triazol-4-yl)ethylamino]ethanoic acid |
| 17449 |  A1JNY CHEMBL567850 |
2 | C17 H16 N2 O4 S | InChI=1S/C17H16N2O4S/c1-2 2-14-7-8-16(23-2)17(10-14 )24(20,21)19-13-9-12-5-3- 4-6-15(12)18-11-13/h3-11, 19H,1-2H3; JZSPHTPWUXNQGB-UHFFFAOYSA-N |
COc1ccc(OC)c(c1)[S](=O)(=O)Nc2cnc3ccccc3 c2; COc1ccc(c(c1)S(=O)(=O)Nc2cc3ccccc3nc 2)OC |
2,5-dimethoxy-~{N}-quinolin-3-yl-benzenesulfonamide |
| 17450 |  A1JNZ |
10 | C48 H72 O14 | InChI=1S/C48H72O14/c1-11- 25(2)43-28(5)17-18-47(62- 43)23-34-20-33(61-47)16-1 5-27(4)42(26(3)13-12-14-3 2-24-55-45-40(49)29(6)19- 35(46(51)58-34)48(32,45)5 2)59-39-22-37(54-10)44(31 (8)57-39)60-38-21-36(53-9 )41(50)30(7)56-38/h12-15, 17-19,25-26,28,30-31,33-4 5,49-50,52H,11,16,20-24H2 ,1-10H3/b13-12-,27-15+,32 -14?/t25-,26-,28-,30-,31- ,33+,34-,35-,36-,37-,38-, 39-,40+,41-,42-,43+,44-,4 5+,47+,48+/m0/s1; RRZXIRBKKLTSOM-VFVFTPQMSA-N |
CC[CH](C)[CH]1O[C]2(C[CH]3C[CH](CC=C(C)[ CH](O[CH]4C[CH](OC)[CH](O[CH]5C[CH](OC)[ CH](O)[CH](C)O5)[CH](C)O4)[CH](C)C=CC=C6 CO[CH]7[CH](O)C(=C[CH](C(=O)O3)[C]67O)C) O2)C=C[CH]1C; CC[C@H](C)[C@H]1O[C@@]2(C[ C@@H]3C[C@@H](C\C=C(/C)[C@@H](O[C@H]4C[C @H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O) [C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C/C=C6 /CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@ ]67O)C)O2)C=C[C@@H]1C; CC[C@H](C)[C@@H]1 [C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C =C(/[C@H]([C@H](C=CC=C4CO[C@H]5[C@@]4([C @@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[ C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([ C@H]([C@@H](O7)C)O)OC)OC)\C)C; CCC(C)C1C (C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C 4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C )OC7CC(C(C(O7)C)O)OC)OC)C)C |
Abamectin; (1'R,2R,3S,4'S,6S,8'R,10'E,10'R,12'S,13'S,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-3,11',13',22'-tetramethyl-21',24'-bis(oxidanyl)spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.1^{4,8}.1^{20,24}]pentacosa-10,14,16,22-tetraene]-2'-one |
| 17451 |  A1JO0 |
1 | C23 H18 Cl N5 O3 | InChI=1S/C23H18ClN5O3/c1- 14(15-5-3-2-4-6-15)27-13- 29(28-10-8-19(30)21(31)20 (28)23(27)32)22-17-11-25- 9-7-16(17)18(24)12-26-22/ h2-12,14,31H,13H2,1H3/t14 -/m0/s1; BFMWIVWPPKENIN-AWEZNQCLSA-N |
CC(c1ccccc1)N2CN(N3C=CC(=O)C(=C3C2=O)O)c 4c5cnccc5c(cn4)Cl; C[C@@H](c1ccccc1)N2CN (N3C=CC(=O)C(=C3C2=O)O)c4c5cnccc5c(cn4)C l; C[CH](N1CN(N2C=CC(=O)C(=C2C1=O)O)c3nc c(Cl)c4ccncc34)c5ccccc5; C[C@H](N1CN(N2C =CC(=O)C(=C2C1=O)O)c3ncc(Cl)c4ccncc34)c5 ccccc5 |
1-(4-chloranyl-2,7-naphthyridin-1-yl)-5-oxidanyl-3-[(1~{S})-1-phenylethyl]-2~{H}-pyrido[2,1-f][1,2,4]triazine-4,6-dione |
| 17452 |  A1JO2 |
7 | C19 H22 N2 O | InChI=1S/C19H22N2O/c1-21- 14-16(17-8-4-5-9-18(17)21 )11-12-20-13-15-7-3-6-10- 19(15)22-2/h3-10,14,20H,1 1-13H2,1-2H3; HPUGWCXSVBHSJV-UHFFFAOYSA-N |
COc1ccccc1CNCCc2cn(C)c3ccccc23; Cn1cc(c2 c1cccc2)CCNCc3ccccc3OC |
~{N}-[(2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine |
| 17453 |  A1JOG |
2 | C7 H7 N O3 | InChI=1S/C7H7NO3/c8-5-3-4 (7(10)11)1-2-6(5)9/h1-3,9 H,8H2,(H,10,11); MRBKRZAPGUCWOS-UHFFFAOYSA-N |
Nc1cc(ccc1O)C(O)=O; c1cc(c(cc1C(=O)O)N)O | 3-amino-4-hydroxybenzoic acid; 3-azanyl-4-oxidanyl-benzoic acid |
| 17454 |  A1JOH |
1 | C25 H27 N3 O2 | InChI=1S/C25H27N3O2/c1-27 (25(29)30-22-9-8-19-6-2-3 -7-21(19)16-22)24-20-10-1 3-28(14-11-20)23(24)15-18 -5-4-12-26-17-18/h2-9,12, 16-17,20,23-24H,10-11,13- 15H2,1H3/t23-,24+/m0/s1; GICKEKKCOCQDNF-BJKOFHAPSA-N |
CN(C1C2CCN(C1Cc3cccnc3)CC2)C(=O)Oc4ccc5c cccc5c4; CN([CH]1C2CCN(CC2)[CH]1Cc3cccnc 3)C(=O)Oc4ccc5ccccc5c4; CN([C@@H]1C2CCN( CC2)[C@H]1Cc3cccnc3)C(=O)Oc4ccc5ccccc5c4 ; CN([C@H]1[C@@H](N2CCC1CC2)Cc3cccnc3)C( =O)Oc4ccc5ccccc5c4 |
naphthalen-2-yl ~{N}-methyl-~{N}-[(2~{S},3~{R})-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]carbamate |
| 17455 |  A1JOI CHEMBL1258126 |
1 | C20 H23 N3 O2 | InChI=1S/C20H23N3O2/c24-2 0(22-17-6-2-1-3-7-17)25-1 9-16-8-11-23(12-9-16)18(1 9)13-15-5-4-10-21-14-15/h 1-7,10,14,16,18-19H,8-9,1 1-13H2,(H,22,24)/t18-,19+ /m0/s1; PMTJTOSHJSYWNV-RBUKOAKNSA-N |
c1ccc(cc1)NC(=O)OC2C3CCN(C2Cc4cccnc4)CC3 ; c1ccc(cc1)NC(=O)O[C@H]2[C@@H](N3CCC2CC 3)Cc4cccnc4; O=C(Nc1ccccc1)O[CH]2C3CCN(C C3)[CH]2Cc4cccnc4; O=C(Nc1ccccc1)O[C@@H] 2C3CCN(CC3)[C@H]2Cc4cccnc4 |
[(2~{S},3~{R})-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] ~{N}-phenylcarbamate |
| 17456 |  A1JOQ |
1 | C16 H30 O7 P2 | InChI=1S/C16H30O7P2/c1-11 (8-10-22-25(20,21)23-24(1 7,18)19)7-9-16(6)14(4)12( 2)13(3)15(16)5/h8,12,14H, 7,9-10H2,1-6H3,(H,20,21)( H2,17,18,19)/b11-8+/t12-, 14+,16-/m0/s1; ZODJECNQEXUGEC-WBUYXRLSSA-N |
C[C@@H]1[C@H]([C@](C(=C1C)C)(C)CC/C(=C/C OP(=O)(O)OP(=O)(O)O)/C)C; C[C@@H]1[C@@H] (C)[C@](C)(CCC(/C)=C/CO[P](O)(=O)O[P](O) (O)=O)C(=C1C)C; C[CH]1[CH](C)[C](C)(CCC( C)=CCO[P](O)(=O)O[P](O)(O)=O)C(=C1C)C; C C1C(C(C(=C1C)C)(C)CCC(=CCOP(=O)(O)OP(=O) (O)O)C)C |
alpha-presodorifen diphosphate; [(~{E})-3-methyl-5-[(1~{S},4~{R},5~{R})-1,2,3,4,5-pentamethylcyclopent-2-en-1-yl]pent-2-enyl] phosphono hydrogen phosphate |
| 17457 |  A1JOT |
1 | C19 H15 F3 N2 O2 | InChI=1S/C19H15F3N2O2/c20 -19(21,22)14-7-4-8-16(11- 14)24-17(13-5-2-1-3-6-13) 12-15(23-24)9-10-18(25)26 /h1-8,11-12H,9-10H2,(H,25 ,26); HDOULFPBAFNSDF-UHFFFAOYSA-N |
OC(=O)CCc1cc(n(n1)c2cccc(c2)C(F)(F)F)c3c cccc3; c1ccc(cc1)c2cc(nn2c3cccc(c3)C(F)( F)F)CCC(=O)O |
3-[5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid |
| 17458 |  A1JOW |
5 | C18 H20 N2 O | InChI=1S/C18H20N2O/c1-21- 18-9-5-2-6-15(18)12-19-11 -10-14-13-20-17-8-4-3-7-1 6(14)17/h2-9,13,19-20H,10 -12H2,1H3; HJCSKFSDXDPIKM-UHFFFAOYSA-N |
COc1ccccc1CNCCc2c[nH]c3c2cccc3; COc1cccc c1CNCCc2c[nH]c3ccccc23 |
2-(1~{H}-indol-3-yl)-~{N}-[(2-methoxyphenyl)methyl]ethanamine |
| 17459 |  A1JPK |
1 | C23 H25 N3 O3 | InChI=1S/C23H25N3O3/c1-2- 29-23(28)18-11-12-20-19(1 6-18)24-22(17-8-4-3-5-9-1 7)26(20)15-7-14-25-13-6-1 0-21(25)27/h3-5,8-9,11-12 ,16H,2,6-7,10,13-15H2,1H3; WJYNZMYLZGFWGH-UHFFFAOYSA-N |
CCOC(=O)c1ccc2c(c1)nc(n2CCCN3CCCC3=O)c4c cccc4; CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc 2c1)c4ccccc4 |
ethyl 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-phenyl-benzimidazole-5-carboxylate |
| 17460 |  A1JPQ |
4 | C21 H27 Br N8 O2 | InChI=1S/C21H27BrN8O2/c1- 12-18(29-32-28-12)21(31)2 5-19(14-5-3-2-4-6-14)20-2 4-16(26-27-20)9-13-7-8-17 -23-10-15(22)30(17)11-13/ h10,13-14,19H,2-9,11H2,1H 3,(H,25,31)(H,24,26,27)/t 13-,19+/m1/s1; QIVXRFMQXXJDLC-YJYMSZOUSA-N |
Cc1nonc1C(=O)N[C@@H](C2CCCCC2)c3[nH]nc(C [C@H]4CCc5ncc(Br)n5C4)n3; Cc1c(non1)C(=O )N[C@H](c2[nH]nc(n2)C[C@H]3CCc4ncc(n4C3) Br)C5CCCCC5; Cc1c(non1)C(=O)NC(c2[nH]nc( n2)CC3CCc4ncc(n4C3)Br)C5CCCCC5; Cc1nonc1 C(=O)N[CH](C2CCCCC2)c3[nH]nc(C[CH]4CCc5n cc(Br)n5C4)n3 |
~{N}-[(~{S})-[3-[[(6~{R})-3-bromanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide |
| 17461 |  A1JPS |
4 | C22 H24 N8 O3 | InChI=1S/C22H24N8O3/c1-12 -18(30-33-29-12)22(32)24- 19(13-7-3-2-4-8-13)20-23- 17(26-27-20)11-16-14-9-5- 6-10-15(14)21(31)28-25-16 /h5-6,9-10,13,19H,2-4,7-8 ,11H2,1H3,(H,24,32)(H,28, 31)(H,23,26,27)/t19-/m0/s 1; IEMMOKAYMRXUHA-IBGZPJMESA-N |
Cc1c(non1)C(=O)N[C@H](c2[nH]nc(n2)CC3=NN C(=O)c4c3cccc4)C5CCCCC5; Cc1nonc1C(=O)N[ C@@H](C2CCCCC2)c3[nH]nc(CC4=NNC(=O)c5ccc cc45)n3; Cc1nonc1C(=O)N[CH](C2CCCCC2)c3[ nH]nc(CC4=NNC(=O)c5ccccc45)n3; Cc1c(non1 )C(=O)NC(c2[nH]nc(n2)CC3=NNC(=O)c4c3cccc 4)C5CCCCC5 |
~{N}-[(~{S})-cyclohexyl-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]-1~{H}-1,2,4-triazol-5-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide |
| 17462 |  A1JPU |
2 | C23 H25 Br N8 O4 | InChI=1S/C23H25BrN8O4/c1- 12-18(30-36-29-12)21(33)2 6-19(13-6-4-3-5-7-13)20-2 5-17(27-28-20)11-32-16-10 -14(24)8-9-15(16)22(34)31 (2)23(32)35/h8-10,13,19H, 3-7,11H2,1-2H3,(H,26,33)( H,25,27,28)/t19-/m0/s1; CLWYQYJCARADES-IBGZPJMESA-N |
Cc1c(non1)C(=O)NC(c2[nH]nc(n2)CN3c4cc(cc c4C(=O)N(C3=O)C)Br)C5CCCCC5; Cc1c(non1)C (=O)N[C@H](c2[nH]nc(n2)CN3c4cc(ccc4C(=O) N(C3=O)C)Br)C5CCCCC5; CN1C(=O)N(Cc2n[nH] c(n2)[CH](NC(=O)c3nonc3C)C4CCCCC4)c5cc(B r)ccc5C1=O; CN1C(=O)N(Cc2n[nH]c(n2)[C@@H ](NC(=O)c3nonc3C)C4CCCCC4)c5cc(Br)ccc5C1 =O |
~{N}-[(~{S})-[3-[[7-bromanyl-3-methyl-2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide |
| 17463 |  A1JPY |
4 | C13 H15 N O4 S2 | InChI=1S/C13H15NO4S2/c15- 10-4-2-1-3-8(10)12-14(11( 16)5-6-19)9(7-20-12)13(17 )18/h1-4,9,12,15,19H,5-7H 2,(H,17,18)/t9-,12+/m0/s1; BSHDUMDXSRLRBI-JOYOIKCWSA-N |
OC(=O)[C@@H]1CS[C@@H](N1C(=O)CCS)c2ccccc 2O; c1ccc(c(c1)[C@@H]2N([C@@H](CS2)C(=O) O)C(=O)CCS)O; c1ccc(c(c1)C2N(C(CS2)C(=O) O)C(=O)CCS)O; OC(=O)[CH]1CS[CH](N1C(=O)C CS)c2ccccc2O |
Rentiapril; (2~{R},4~{R})-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid |
| 17464 |  A1JQT |
2 | C67 H103 N5 O14 S | InChI=1S/C67H103N5O14S/c1 -12-66(8,9)84-37-50-56(78 )57(79)58(80)64(85-50)86- 59-54-47(31-51(74)67(54,1 0)32-48-44(36-83-11)28-29 -46(48)40(3)55(59)77)39(2 )33-68-52(75)22-20-18-16- 14-13-15-17-19-21-23-53(7 6)71-61(65(5,6)7)63(82)72 -35-45(73)30-49(72)62(81) 69-34-42-24-26-43(27-25-4 2)60-41(4)70-38-87-60/h12 ,24-27,32,38-40,44-46,49- 51,55-59,61,64,73-74,77-8 0H,1,13-23,28-31,33-37H2, 2-11H3,(H,68,75)(H,69,81) (H,71,76)/b48-32-/t39-,40 -,44-,45-,46+,49+,50-,51+ ,55-,56-,57+,58-,59-,61-, 64-,67+/m1/s1; HOVSLWLDSKIRRP-RCFYOAIOSA-N |
COC[C@H]\1CC[C@H]2[C@@H](C)[C@@H](O)[C@H ](O[C@H]3O[C@H](COC(C)(C)C=C)[C@@H](O)[C @H](O)[C@H]3O)C4=C(C[C@H](O)[C@]4(C)/C=C \12)[C@H](C)CNC(=O)CCCCCCCCCCCC(=O)N[C@H ](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc6ccc(cc 6)c7scnc7C)C(C)(C)C; Cc1c(scn1)c2ccc(cc2 )CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CC CCCCCCCCCC(=O)NCC(C)C4=C5C(C(C(C6CCC(C6= CC5(C(C4)O)C)COC)C)O)OC7C(C(C(C(O7)COC(C )(C)C=C)O)O)O)O; Cc1c(scn1)c2ccc(cc2)CNC (=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C )NC(=O)CCCCCCCCCCCC(=O)NC[C@@H](C)C4=C5[ C@H]([C@@H]([C@@H]([C@@H]\6CC[C@@H](/C6= C/[C@]5([C@H](C4)O)C)COC)C)O)O[C@@H]7[C@ @H]([C@H]([C@@H]([C@H](O7)COC(C)(C)C=C)O )O)O)O; COC[CH]1CC[CH]2[CH](C)[CH](O)[CH ](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O )[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C )CNC(=O)CCCCCCCCCCCC(=O)N[CH](C(=O)N5C[C H](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C )(C)C |
~{N}'-[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]-~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]tridecanediamide |
| 17465 |  A1JQV |
1 | C12 H7 F7 N4 O2 S | InChI=1S/C12H7F7N4O2S/c13 -5-3-6(14)9(16)10(8(5)15) 26(24,25)22-1-2-23-7(4-22 )20-21-11(23)12(17,18)19/ h3H,1-2,4H2; KHAIFZWUJWFGRC-UHFFFAOYSA-N |
c1c(c(c(c(c1F)F)S(=O)(=O)N2CCn3c(nnc3C(F )(F)F)C2)F)F; Fc1cc(F)c(F)c(c1F)[S](=O)( =O)N2CCn3c(C2)nnc3C(F)(F)F |
7-[2,3,5,6-tetrakis(fluoranyl)phenyl]sulfonyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine |
| 17466 |  A1JRF |
2 | C23 H17 F N6 O | InChI=1S/C23H17FN6O/c1-25 -22(31)18-6-5-16(11-19(18 )24)21-13-28-23-27-12-17( 30(23)29-21)10-14-4-7-20- 15(9-14)3-2-8-26-20/h2-9, 11-13H,10H2,1H3,(H,25,31); LIOLIMKSCNQPLV-UHFFFAOYSA-N |
CNC(=O)c1ccc(cc1F)c2cnc3ncc(n3n2)Cc4ccc5 c(c4)cccn5; CNC(=O)c1ccc(cc1F)c2cnc3ncc( Cc4ccc5ncccc5c4)n3n2 |
Capmatinib; 2-fluoranyl-~{N}-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide |
| 17467 |  A1JS8 |
2 | C28 H24 F N3 O5 | InChI=1S/C28H24FN3O5/c1-3 5-24-15-21-22(16-25(24)36 -2)30-14-11-23(21)37-20-9 -7-19(8-10-20)32-27(34)28 (12-13-28)26(33)31-18-5-3 -17(29)4-6-18/h3-11,14-16 H,12-13H2,1-2H3,(H,31,33) (H,32,34); ONIQOQHATWINJY-UHFFFAOYSA-N |
COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)C4( CC4)C(=O)Nc5ccc(cc5)F; COc1cc2nccc(Oc3cc c(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2c c1OC |
Cabozantinib; ~{N}1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-~{N}1'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; ONIQOQHATWINJY-UHFFFAOYSA-N |
| 17468 |  A1JSF |
1 | C32 H43 F3 N11 O14 P2 | InChI=1S/C32H42F3N11O14P2 /c1-15-8-18(28(51)42-17-4 -2-16(3-5-17)37-11-32(33, 34)35)43-31(41-15)45-7-6- 44(14-45)29-24(49)22(47)1 9(58-29)9-56-61(52,53)60- 62(54,55)57-10-20-23(48)2 5(50)30(59-20)46-13-40-21 -26(36)38-12-39-27(21)46/ h6-8,12-14,16-17,19-20,22 -25,29-30,37,47-50H,2-5,9 -11H2,1H3,(H4-,36,38,39,4 2,51,52,53,54,55)/p+1/t16 -,17-,19-,20-,22-,23-,24- ,25-,29-,30-/m1/s1; GJVNDADRBKRXQI-CCOYQQLFSA-O |
Cc1cc(nc(n1)[n+]2ccn(c2)C3C(C(C(O3)COP(= O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6 N)O)O)O)O)C(=O)NC7CCC(CC7)NCC(F)(F)F; Cc 1cc(nc(n1)[n+]2ccn(c2)[C@@H]3O[C@H](CO[P ](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H]( O)[C@@H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@ H]3O)C(=O)N[C@@H]7CC[C@H](CC7)NCC(F)(F)F ; Cc1cc(nc(n1)[n+]2ccn(c2)[C@H]3[C@@H]([ C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@ H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N) O)O)O)O)C(=O)NC7CCC(CC7)NCC(F)(F)F; Cc1c c(nc(n1)[n+]2ccn(c2)[CH]3O[CH](CO[P](O)( =O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O )n5cnc6c(N)ncnc56)[CH](O)[CH]3O)C(=O)N[C H]7CC[CH](CC7)NCC(F)(F)F |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[3-[4-methyl-6-[[4-[2,2,2-tris(fluoranyl)ethylamino]cyclohexyl]carbamoyl]pyrimidin-2-yl]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17469 |  A1JSO |
2 | C33 H29 F2 N5 O4 S | InChI=1S/C33H29F2N5O4S/c1 -43-15-14-36-18-20-2-8-25 (38-19-20)29-17-26-30(45- 29)28(10-13-37-26)44-27-9 -7-23(16-24(27)35)40-32(4 2)33(11-12-33)31(41)39-22 -5-3-21(34)4-6-22/h2-10,1 3,16-17,19,36H,11-12,14-1 5,18H2,1H3,(H,39,41)(H,40 ,42); WLAVZAAODLTUSW-UHFFFAOYSA-N |
COCCNCc1ccc(nc1)c2sc3c(Oc4ccc(NC(=O)C5(C C5)C(=O)Nc6ccc(F)cc6)cc4F)ccnc3c2; COCCN Cc1ccc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F) NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F |
Sitravatinib; N1'-[3-fluoranyl-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide |
| 17470 |  A1JSP |
1 | C21 H15 O8 P | InChI=1S/C21H15O8P/c1-26- 12-6-8-16-18(10-12)27-19- 11-13(29-30(23,24)25)7-9- 17(19)21(16)15-5-3-2-4-14 (15)20(22)28-21/h2-11H,1H 3,(H2,23,24,25)/t21-/m0/s 1; QWBZNOKUBXSLRE-NRFANRHFSA-N |
COc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O 4)OP(=O)(O)O; COc1ccc2c(c1)Oc3cc(ccc3[C@ ]24c5ccccc5C(=O)O4)OP(=O)(O)O; COc1ccc2c (Oc3cc(O[P](O)(O)=O)ccc3[C]24OC(=O)c5ccc cc45)c1; COc1ccc2c(Oc3cc(O[P](O)(O)=O)cc c3[C@@]24OC(=O)c5ccccc45)c1 |
[(1~{S})-6'-methoxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] dihydrogen phosphate |
| 17471 |  A1JSQ |
1 | C21 H15 O8 P | InChI=1S/C21H15O8P/c1-26- 12-6-8-16-18(10-12)27-19- 11-13(29-30(23,24)25)7-9- 17(19)21(16)15-5-3-2-4-14 (15)20(22)28-21/h2-11H,1H 3,(H2,23,24,25)/t21-/m1/s 1; QWBZNOKUBXSLRE-OAQYLSRUSA-N |
COc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O 4)OP(=O)(O)O; COc1ccc2c(Oc3cc(O[P](O)(O) =O)ccc3[C]24OC(=O)c5ccccc45)c1; COc1ccc2 c(c1)Oc3cc(ccc3[C@@]24c5ccccc5C(=O)O4)OP (=O)(O)O; COc1ccc2c(Oc3cc(O[P](O)(O)=O)c cc3[C@]24OC(=O)c5ccccc45)c1 |
[(1~{R})-6'-methoxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] dihydrogen phosphate |
| 17472 |  A1JSR |
2 | C31 H27 F2 N5 O3 S2 | InChI=1S/C31H27F2N5O3S2/c 1-40-13-12-34-17-20-4-8-2 4(36-18-20)28-16-25-30(43 -28)27(10-11-35-25)41-26- 9-7-22(15-23(26)33)37-31( 42)38-29(39)14-19-2-5-21( 32)6-3-19/h2-11,15-16,18, 34H,12-14,17H2,1H3,(H2,37 ,38,39,42); YRCHYHRCBXNYNU-UHFFFAOYSA-N |
COCCNCc1ccc(nc1)c2sc3c(Oc4ccc(NC(=S)NC(= O)Cc5ccc(F)cc5)cc4F)ccnc3c2; COCCNCc1ccc (nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=S) NC(=O)Cc5ccc(cc5)F |
Glesatinib; ~{N}-[[3-fluoranyl-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]carbamothioyl]-2-(4-fluorophenyl)ethanamide |
| 17473 |  A1JT6 |
1 | C21 H17 N9 O2 S | InChI=1S/C21H17N9O2S/c1-2 7-11-16(7-24-27)14-3-4-20 -23-10-21(29(20)13-14)33( 31,32)30-19-5-15(6-22-18( 19)9-26-30)17-8-25-28(2)1 2-17/h3-13H,1-2H3; RYBLECYFLJXEJX-UHFFFAOYSA-N |
Cn1cc(cn1)c2ccc3ncc(n3c2)[S](=O)(=O)n4nc c5ncc(cc45)c6cnn(C)c6; Cn1cc(cn1)c2ccc3n cc(n3c2)S(=O)(=O)n4c5cc(cnc5cn4)c6cnn(c6 )C |
Glumetinib; 6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-pyrazolo[4,3-b]pyridine |
| 17474 |  A1JTC CHEMBL4740486 |
2 | C58 H82 N8 O14 S2 | InChI=1S/C58H82N8O14S2/c1 -37-49(81-35-61-37)41-13- 9-39(10-14-41)29-59-53(71 )45-27-43(67)31-65(45)55( 73)51(57(3,4)5)63-47(69)3 3-79-25-23-77-21-19-75-17 -18-76-20-22-78-24-26-80- 34-48(70)64-52(58(6,7)8)5 6(74)66-32-44(68)28-46(66 )54(72)60-30-40-11-15-42( 16-12-40)50-38(2)62-36-82 -50/h9-16,35-36,43-46,51- 52,67-68H,17-34H2,1-8H3,( H,59,71)(H,60,72)(H,63,69 )(H,64,70)/t43-,44-,45+,4 6+,51-,52-/m1/s1; WGJCHHJGGFCCRS-DEYDLUNASA-N |
Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(= O)[CH](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[CH ](C(=O)N4C[CH](O)C[CH]4C(=O)NCc5ccc(cc5) c6scnc6C)C(C)(C)C)C(C)(C)C)cc2; Cc1ncsc1 c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C @@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H] (C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc5ccc(cc5 )c6scnc6C)C(C)(C)C)C(C)(C)C)cc2; Cc1c(sc n1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)( C)C)NC(=O)COCCOCCOCCOCCOCCOCC(=O)NC(C(=O )N4CC(CC4C(=O)NCc5ccc(cc5)c6c(ncs6)C)O)C (C)(C)C)O; Cc1c(scn1)c2ccc(cc2)CNC(=O)[C @@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O )COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[ C@@H](C[C@H]4C(=O)NCc5ccc(cc5)c6c(ncs6)C )O)C(C)(C)C)O |
(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[2-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide; homoPROTAC CM11 |
| 17475 |  A1JTN |
10 | C8 H12 O8 Rh2 | InChI=1S/4C2H4O2.2Rh/c4*1 -2(3)4;;/h4*1H3,(H,3,4);; /q;;;;;+4/p-4; SPGGKCDNPQYSHY-UHFFFAOYSA-J |
CC1=O[Rh]234O=C(O[Rh]2(O1)(OC(=O3)C)OC(= O4)C)C; [Rh].CC(=O)O[Rh](OC(=O)C)(OC(=O) C)OC(=O)C |
dirhodium tetraacetate |
| 17476 |  A1JTY CHEMBL3545313 DB11936 |
2 | C19 H36 O5 | InChI=1S/C19H36O5/c1-18(2 ,16(21)22)13-9-5-7-11-15( 20)12-8-6-10-14-19(3,4)17 (23)24/h15,20H,5-14H2,1-4 H3,(H,21,22)(H,23,24); HYHMLYSLQUKXKP-UHFFFAOYSA-N |
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O ; CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O )O |
Bempedoic acid; 2,2,14,14-tetramethyl-8-oxidanyl-pentadecanedioic acid |
| 17477 |  A1JUV |
7 | C13 H13 N O2 | InChI=1S/C13H13NO2/c1-2-3 -8-16-12-9-10-6-4-5-7-11( 10)14-13(12)15/h2,4-7,9H, 1,3,8H2,(H,14,15); UXVYMABGLCMKCH-UHFFFAOYSA-N |
C=CCCOC1=Cc2ccccc2NC1=O | 3-but-3-enoxy-1~{H}-quinolin-2-one |
| 17478 |  A1JUW |
10 | C17 H11 N O3 S | InChI=1S/C17H11NO3S/c19-1 5-7-8-16(20)18(15)10-5-6- 14-12(9-10)17(21)11-3-1-2 -4-13(11)22-14/h1-6,9H,7- 8H2; NNARTBFMPNOEGC-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)c3cc(ccc3S2)N4C(=O)CCC4= O; O=C1CCC(=O)N1c2ccc3Sc4ccccc4C(=O)c3c2 |
1-(9-oxidanylidenethioxanthen-2-yl)pyrrolidine-2,5-dione |
| 17479 |  A1JUX |
2 | C13 H13 N O2 | InChI=1S/C13H13NO2/c15-12 -13-8(5-6-16-13)7-10(13)9 -3-1-2-4-11(9)14-12/h1-4, 8,10H,5-7H2,(H,14,15)/t8- ,10+,13-/m1/s1; HYOYHRYUCBXXSL-DFAYQTQMSA-N |
c1ccc2c(c1)[C@@H]3C[C@@H]4[C@@]3(C(=O)N2 )OCC4; O=C1Nc2ccccc2[CH]3C[CH]4CCO[C]134 ; c1ccc2c(c1)C3CC4C3(C(=O)N2)OCC4; O=C1N c2ccccc2[C@@H]3C[C@H]4CCO[C@@]134 |
(1R,10S,12S)-15-oxa-3-azatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one |
| 17480 |  A1JV9 |
1 | C20 H18 F2 N6 O2 | InChI=1S/C20H18F2N6O2/c21 -7-3-12-16(27-28-17(12)23 -5-7)19-24-6-13(22)18(26- 19)25-15-9-2-1-8(10-4-11( 9)10)14(15)20(29)30/h3,5- 6,8-11,14-15H,1-2,4H2,(H, 29,30)(H,23,27,28)(H,24,2 5,26)/t8-,9+,10-,11+,14-, 15-/m0/s1; HJLVGSXDXOCNGR-RKRFWMIESA-N |
OC(=O)[C@H]1[C@H]2CC[C@H]([C@H]3C[C@@H]2 3)[C@@H]1Nc4nc(ncc4F)c5n[nH]c6ncc(F)cc56 ; OC(=O)[CH]1[CH]2CC[CH]([CH]3C[CH]23)[C H]1Nc4nc(ncc4F)c5n[nH]c6ncc(F)cc56; c1c( cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@H]4[C@@H]5 CC[C@H]([C@@H]4C(=O)O)[C@H]6[C@@H]5C6)F) F; c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)NC4C5CC C(C4C(=O)O)C6C5C6)F)F |
(1~{R},2~{S},4~{R},5~{S},6~{S},7~{S})-7-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]tricyclo[3.2.2.0^{2,4}]nonane-6-carboxylic acid; CRA_7806 |
| 17481 |  A1JWF |
0 | C7 H9 N O2 Te | InChI=1S/C7H9NO2Te/c8-6(7 (9)10)4-5-2-1-3-11-5/h1-3 ,6H,4,8H2,(H,9,10)/t6-/m0 /s1; WGRBJSSNKUDAES-LURJTMIESA-N |
C1=C[Te]C(=C1)CC(C(=O)O)N; N[C@@H](Cc1[t e]ccc1)C(O)=O; C1=C[Te]C(=C1)C[C@@H](C(= O)O)N; N[CH](Cc1[te]ccc1)C(O)=O |
2-Tellurophenealanine; (2S)-2-azanyl-3-tellurophen-2-yl-propanoic acid |
| 17482 |  A1JWS |
8 | C12 H16 N3 O2 S | InChI=1S/C12H15N3O2S/c1-8 -11(3-4-16)18-7-15(8)6-10 -5-13-9(2)14-12(10)17/h5, 7,16H,3-4,6H2,1-2H3/p+1; SRDGSXVLAVRBLU-UHFFFAOYSA-O |
Cc1c(sc[n+]1CC2=CN=C(NC2=O)C)CCO; CC1=NC =C(C[n+]2csc(CCO)c2C)C(=O)N1 |
Oxythiamine; 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one |
| 17483 |  A1JXD |
1 | C16 H19 N3 O4 S | InChI=1S/C16H19N3O4S/c1-9 -8-24-15(19-13(9)16(22)23 )11(7-20)18-14(21)12(17)1 0-5-3-2-4-6-10/h2-7,9,11- 12,15H,8,17H2,1H3,(H,18,2 1)(H,22,23)/t9?,11-,12-,1 5-/m1/s1; SGDBJNVCNZNWTA-MSJRJPAQSA-N |
CC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O) [C@@H](c2ccccc2)N; C[C@H]1CS[C@@H](N=C1C (O)=O)[C@H](NC(=O)[C@H](N)c2ccccc2)C=O; CC1CSC(N=C1C(=O)O)C(C=O)NC(=O)C(c2ccccc2 )N; C[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)[ CH](N)c2ccccc2)C=O |
(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
| 17484 |  A1JZ3 |
0 | C8 H14 O10 Rh2 | InChI=1S/4C2H4O2.2H2O.2Rh /c4*1-2(3)4;;;;/h4*1H3,(H ,3,4);2*1H2;;/q;;;;;;2*+5 /p-6; NFYFJNIJPXGTTN-UHFFFAOYSA-H |
CC1=[O+][Rh]234(=[Rh](O)(O1)(OC(=[O+]2)C )([O+]=C(C)O3)[O+]=C(C)O4)O; CC1=[O+][Rh ]234(=[Rh](O1)(OC(=[O+]2)C)([O+]=C(O3)C) ([O+]=C(O4)C)O)O |
Rhodium tetraacetate dihydrate; Rhodium(II) acetate dimer dihydrate |
| 17485 |  A1JZU |
1 | C33 H29 N O9 | InChI=1S/C33H29NO9/c1-3-4 2-29-10-5-4-8-22(29)19-34 (18-21-7-6-9-24(15-21)43- 23-13-11-20(2)12-14-23)30 (35)25-16-27(32(38)39)28( 33(40)41)17-26(25)31(36)3 7/h4-17H,3,18-19H2,1-2H3, (H,36,37)(H,38,39)(H,40,4 1); NHCMSBSXCWMLKE-UHFFFAOYSA-N |
CCOc1ccccc1CN(Cc2cccc(c2)Oc3ccc(cc3)C)C( =O)c4cc(c(cc4C(=O)O)C(=O)O)C(=O)O; CCOc1 ccccc1CN(Cc2cccc(Oc3ccc(C)cc3)c2)C(=O)c4 cc(C(O)=O)c(cc4C(O)=O)C(O)=O |
5-[(2-ethoxyphenyl)methyl-[[3-(4-methylphenoxy)phenyl]methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid |
| 17486 |  A1K CHEMBL4540808 ZINC000253387881 |
1 | C19 H21 Cl N6 O3 | InChI=1S/C19H21ClN6O3/c1- 21-16-15-12(20)10-22-17(1 5)25-19(24-16)23-13-4-3-1 1(9-14(13)28-2)18(27)26-5 -7-29-8-6-26/h3-4,9-10H,5 -8H2,1-2H3,(H3,21,22,23,2 4,25); HUEKBQXFNHWTQQ-UHFFFAOYSA-N |
CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N 4CCOCC4)Cl; CNc1nc(Nc2ccc(cc2OC)C(=O)N3C COCC3)nc4[nH]cc(Cl)c14 |
[4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone |
| 17487 |  A1L CHEMBL4754642 ZINC000140068785 |
3 | C24 H31 N9 O3 | InChI=1S/C24H31N9O3/c1-27 -24(36)31-23(25)28-14-8-1 3-20(30-21(34)15-29-32-26 )22(35)33(16-18-9-4-2-5-1 0-18)17-19-11-6-3-7-12-19 /h2-7,9-12,20H,8,13-17H2, 1H3,(H,30,34)(H4,25,27,28 ,31,36)/t20-/m0/s1; WCLXSHAWFUUDKF-FQEVSTJZSA-N |
CNC(=O)NC(=N)NCCCC(C(=O)N(Cc1ccccc1)Cc2c cccc2)NC(=O)C[N-][N+]#N; [H]/N=C(\NCCC[C @@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[ N-][N+]#N)/NC(=O)NC; CNC(=O)NC(=N)NCCC[C @H](NC(=O)C[N-][N+]#N)C(=O)N(Cc1ccccc1)C c2ccccc2; CNC(=O)NC(=N)NCCC[CH](NC(=O)C[ N-][N+]#N)C(=O)N(Cc1ccccc1)Cc2ccccc2; N# [N+][N-]CC(=O)NC(C(=O)N(Cc1ccccc1)Cc2ccc cc2)CCCNC(=[N@H])NC(=O)NC |
[2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide |
| 17488 |  A1L01 |
4 | C24 H46 O4 | InChI=1S/C24H46O4/c1-3-5- 7-9-11-12-14-15-17-19-22( 21-23(25)26)28-24(27)20-1 8-16-13-10-8-6-4-2/h22H,3 -21H2,1-2H3,(H,25,26)/t22 -/m0/s1; WLNJGOIHOQOCJP-QFIPXVFZSA-N |
CCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCC C; CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCC CC; CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC ; CCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCC CCC |
(3~{S})-3-decanoyloxytetradecanoic acid |
| 17489 |  A1L04 |
4 | C16 H9 Cl F3 N O3 | InChI=1S/C16H9ClF3NO3/c17 -9-3-1-8(2-4-9)13-14(24-2 1-15(13)16(18,19)20)11-6- 5-10(22)7-12(11)23/h1-7,2 2-23H; BYNUBBWBGHJHNP-UHFFFAOYSA-N |
Oc1ccc(c(O)c1)c2onc(c2c3ccc(Cl)cc3)C(F)( F)F; c1cc(ccc1c2c(onc2C(F)(F)F)c3ccc(cc3 O)O)Cl |
4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol |
| 17490 |  A1L07 CHEMBL5595829 |
2 | C30 H42 N4 O4 | InChI=1S/C30H42N4O4/c1-6- 7-8-23(33-29(37)27-19(2)2 6-24(32-27)17-30(3,4)18-2 5(26)35)28(36)31-20-9-11- 21(12-10-20)38-22-13-15-3 4(5)16-14-22/h9-12,22-23, 32H,6-8,13-18H2,1-5H3,(H, 31,36)(H,33,37)/t23-/m0/s 1; SANTZUMQHHSQMN-QHCPKHFHSA-N |
CCCCC(C(=O)Nc1ccc(cc1)OC2CCN(CC2)C)NC(=O )c3c(c4c([nH]3)CC(CC4=O)(C)C)C; CCCC[C@H ](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O )Nc3ccc(OC4CCN(C)CC4)cc3; CCCC[CH](NC(=O )c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc3ccc (OC4CCN(C)CC4)cc3; CCCC[C@@H](C(=O)Nc1cc c(cc1)OC2CCN(CC2)C)NC(=O)c3c(c4c([nH]3)C C(CC4=O)(C)C)C |
3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide |
| 17491 |  A1L08 |
2 | C25 H33 N3 O3 | InChI=1S/C25H33N3O3/c1-5- 6-12-18(23(30)26-15-17-10 -8-7-9-11-17)28-24(31)22- 16(2)21-19(27-22)13-25(3, 4)14-20(21)29/h7-11,18,27 H,5-6,12-15H2,1-4H3,(H,26 ,30)(H,28,31)/t18-/m0/s1; FKYWIFNZDJPACP-SFHVURJKSA-N |
CCCCC(C(=O)NCc1ccccc1)NC(=O)c2c(c3c([nH] 2)CC(CC3=O)(C)C)C; CCCC[CH](NC(=O)c1[nH] c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3ccccc3; C CCC[C@@H](C(=O)NCc1ccccc1)NC(=O)c2c(c3c( [nH]2)CC(CC3=O)(C)C)C; CCCC[C@H](NC(=O)c 1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3cccc c3 |
3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide |
| 17492 |  A1L09 CHEMBL5595444 |
2 | C28 H40 N4 O3 | InChI=1S/C28H40N4O3/c1-7- 8-9-21(26(34)29-16-19-10- 12-20(13-11-19)17-32(5)6) 31-27(35)25-18(2)24-22(30 -25)14-28(3,4)15-23(24)33 /h10-13,21,30H,7-9,14-17H 2,1-6H3,(H,29,34)(H,31,35 )/t21-/m0/s1; FJJHERPTGMLTTQ-NRFANRHFSA-N |
CCCCC(C(=O)NCc1ccc(cc1)CN(C)C)NC(=O)c2c( c3c([nH]2)CC(CC3=O)(C)C)C; CCCC[C@@H](C( =O)NCc1ccc(cc1)CN(C)C)NC(=O)c2c(c3c([nH] 2)CC(CC3=O)(C)C)C; CCCC[CH](NC(=O)c1[nH] c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3ccc(CN(C) C)cc3; CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)C C(=O)c2c1C)C(=O)NCc3ccc(CN(C)C)cc3 |
~{N}-[(2~{S})-1-[[4-[(dimethylamino)methyl]phenyl]methylamino]-1-oxidanylidene-hexan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide |
| 17493 |  A1L0A |
1 | C27 H34 F N5 O4 | InChI=1S/C27H34FN5O4/c1-5 -18(6-2)24-23-21(26(34)35 )15-22(29-25(23)33(30-24) 20-9-7-19(28)8-10-20)31-1 1-13-32(14-12-31)27(36)37 -16-17(3)4/h7-10,15,17-18 H,5-6,11-14,16H2,1-4H3,(H ,34,35); HISOUHMSGUISKF-UHFFFAOYSA-N |
CCC(CC)c1nn(c2ccc(F)cc2)c3nc(cc(C(O)=O)c 13)N4CCN(CC4)C(=O)OCC(C)C; CCC(CC)c1c2c( cc(nc2n(n1)c3ccc(cc3)F)N4CCN(CC4)C(=O)OC C(C)C)C(=O)O |
1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| 17494 |  A1L0C CHEMBL4437785 |
8 | C14 H25 B N4 O3 | InChI=1S/C14H25BN4O3/c1-1 0(2)8-13(15(21)22)16-14(2 0)12-9-19(18-17-12)11-6-4 -3-5-7-11/h9-11,13,21-22H ,3-8H2,1-2H3,(H,16,20)/t1 3-/m0/s1; CZNHJEDLONNLAH-ZDUSSCGKSA-N |
CC(C)C[C@H](NC(=O)c1cn(nn1)C2CCCCC2)B(O) O; B(C(CC(C)C)NC(=O)c1cn(nn1)C2CCCCC2)(O )O; CC(C)C[CH](NC(=O)c1cn(nn1)C2CCCCC2)B (O)O; B([C@H](CC(C)C)NC(=O)c1cn(nn1)C2CC CCC2)(O)O |
[(1R)-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]boronic acid |
| 17495 |  A1L0D CHEMBL5573016 |
13 | C16 H27 B N4 O3 | InChI=1S/C16H27BN4O3/c22- 16(18-15(17(23)24)12-7-3- 1-4-8-12)14-11-21(20-19-1 4)13-9-5-2-6-10-13/h11-13 ,15,23-24H,1-10H2,(H,18,2 2)/t15-/m0/s1; SSGADSLNPZAYBK-HNNXBMFYSA-N |
OB(O)[C@@H](NC(=O)c1cn(nn1)C2CCCCC2)C3CC CCC3; B([C@H](C1CCCCC1)NC(=O)c2cn(nn2)C3 CCCCC3)(O)O; OB(O)[CH](NC(=O)c1cn(nn1)C2 CCCCC2)C3CCCCC3; B(C(C1CCCCC1)NC(=O)c2cn (nn2)C3CCCCC3)(O)O |
[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid |
| 17496 |  A1L0E |
3 | C40 H58 O2 | InChI=1S/C40H58O2/c1-29(1 7-13-19-31(3)21-23-37-33( 5)25-35(41)27-39(37,7)8)1 5-11-12-16-30(2)18-14-20- 32(4)22-24-38-34(6)26-36( 42)28-40(38,9)10/h11-21,2 3,26,35-36,38,41-42H,22,2 4-25,27-28H2,1-10H3/b12-1 1+,17-13+,18-14+,23-21+,2 9-15+,30-16+,31-19+,32-20 +/t35-,36+,38+/m1/s1; BVQZFYCQXRWKGU-KTHHOQBFSA-N |
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC= C(C)C=CC=C(C)CCC2C(=CC(CC2(C)C)O)C)C)C; CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/ C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC[C@H]2C(= C[C@@H](CC2(C)C)O)C)/C)/C; CC(\CC[C@H]1C (=C[C@H](O)CC1(C)C)C)=C/C=C/C(C)=C/C=C/C =C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC 2(C)C; CC(CC[CH]1C(=C[CH](O)CC1(C)C)C)=C C=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C[C H](O)CC2(C)C |
(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohex-3-en-1-ol; 7',8'-dihydrolutein |
| 17497 |  A1L0F |
3 | C35 H30 Mg N4 O5 | InChI=1S/C35H32N4O5.Mg/c1 -8-19-15(3)22-12-24-17(5) 21(10-11-28(40)41)32(38-2 4)30-31(35(43)44-7)34(42) 29-18(6)25(39-33(29)30)14 -27-20(9-2)16(4)23(37-27) 13-26(19)36-22;/h8-9,12-1 4,31H,1-2,10-11H2,3-7H3,( H3,36,37,38,39,40,41,42); /q;+2/p-2/b22-12-,23-13-, 24-12-,25-14-,26-13-,27-1 4-,32-30-;/t31-;/m1./s1; YXBIPIDDNARELO-KKNVGXODSA-L |
Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Mg]36[N] 7=C(C(=C(C7=C2)C)CCC(=O)O)C8=C9N6C(=C5)C (=C9C(=O)C8C(=O)OC)C)C=C)C; Cc1c2n3c(c1C =C)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C(=C(C7= C2)C)CCC(=O)O)C8=C9N6C(=C5)C(=C9C(=O)[C@ @H]8C(=O)OC)C)C=C)C; COC(=O)[CH]1C(=O)C2 =C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC( =Cc6c(C)c5C=C)C(=C7CCC(O)=O)C)C(=C4C=C)C ; COC(=O)[C@H]1C(=O)C2=C(C)C3=CC4=NC(=Cc 5n6[Mg][N@]3C2=C1C7=NC(=Cc6c(C)c5C=C)C(= C7CCC(O)=O)C)C(=C4C=C)C |
Mg-2,4-divinyl-phaeoporphyrin a5-monometyl ester |
| 17498 |  A1L0G |
1 | C20 H22 N8 O7 S | InChI=1S/C20H22N8O7S/c21- 6-10-2-1-3-11(4-10)12(22) 5-14(29)27-36(32,33)34-7- 13-16(30)17(31)20(35-13)2 8-9-26-15-18(23)24-8-25-1 9(15)28/h1-4,8-9,12-13,16 -17,20,30-31H,5,7,22H2,(H ,27,29)(H2,23,24,25)/t12- ,13+,16+,17+,20+/m0/s1; ZPOUQXSYNILZLP-JDLZUTDUSA-N |
c1cc(cc(c1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H ]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O )O)N)C#N; N[CH](CC(=O)N[S](=O)(=O)OC[CH] 1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4 cccc(c4)C#N; N[C@@H](CC(=O)N[S](=O)(=O)O C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N )ncnc23)c4cccc(c4)C#N; c1cc(cc(c1)C(CC(= O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N) O)O)N)C#N |
[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate |
| 17499 |  A1L0H |
1 | C19 H22 Br N7 O7 S | InChI=1S/C19H22BrN7O7S/c2 0-10-4-2-1-3-9(10)11(21)5 -13(28)26-35(31,32)33-6-1 2-15(29)16(30)19(34-12)27 -8-25-14-17(22)23-7-24-18 (14)27/h1-4,7-8,11-12,15- 16,19,29-30H,5-6,21H2,(H, 26,28)(H2,22,23,24)/t11-, 12+,15+,16+,19+/m0/s1; GOEQSWCMWTVHGV-NSDPQSHHSA-N |
c1ccc(c(c1)C(CC(=O)NS(=O)(=O)OCC2C(C(C(O 2)n3cnc4c3ncnc4N)O)O)N)Br; N[CH](CC(=O)N [S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2 cnc3c(N)ncnc23)c4ccccc4Br; c1ccc(c(c1)[C @H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H] ([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)Br; N[C@ @H](CC(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@ H](O)[C@@H]1O)n2cnc3c(N)ncnc23)c4ccccc4B r |
[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate |
| 17500 |  A1L0I CHEMBL4079239 DB15358 |
6 | C18 H13 Cl F4 N6 O | InChI=1S/C18H13ClF4N6O/c1 -9-15-13(29(27-26-15)17-2 4-7-10(20)8-25-17)5-6-28( 9)16(30)11-3-2-4-12(14(11 )19)18(21,22)23/h2-4,7-9H ,5-6H2,1H3/t9-/m1/s1; CWFVVQFVGMFTBD-SECBINFHSA-N |
C[CH]1N(CCc2n(nnc12)c3ncc(F)cn3)C(=O)c4c ccc(c4Cl)C(F)(F)F; C[C@@H]1c2c(n(nn2)c3n cc(cn3)F)CCN1C(=O)c4cccc(c4Cl)C(F)(F)F; C[C@H]1N(CCc2n(nnc12)c3ncc(F)cn3)C(=O)c4 cccc(c4Cl)C(F)(F)F; CC1c2c(n(nn2)c3ncc(c n3)F)CCN1C(=O)c4cccc(c4Cl)C(F)(F)F |
JNJ-54175446; [2-chloranyl-3-(trifluoromethyl)phenyl]-[(4~{R})-1-(5-fluoranylpyrimidin-2-yl)-4-methyl-6,7-dihydro-4~{H}-[1,2,3]triazolo[4,5-c]pyridin-5-yl]methanone |
| 17501 |  A1L0L |
2 | C10 H13 O6 P | InChI=1S/C10H13O6P/c1-15- 10(12)8-2-4-9(5-3-8)17(13 ,14)16-7-6-11/h2-5,11H,6- 7H2,1H3,(H,13,14); AQWCOZWQBGLFLN-UHFFFAOYSA-N |
COC(=O)c1ccc(cc1)P(=O)(O)OCCO; COC(=O)c1 ccc(cc1)[P](O)(=O)OCCO |
2-hydroxyethyloxy-(4-methoxycarbonylphenyl)phosphinic acid |
| 17502 |  A1L0M |
2 | C17 H19 O6 P | InChI=1S/C17H19O6P/c1-21- 17(18)15-7-9-16(10-8-15)2 4(19,20)23-12-11-22-13-14 -5-3-2-4-6-14/h2-10H,11-1 3H2,1H3,(H,19,20); XPCSDQWUXIAMMN-UHFFFAOYSA-N |
COC(=O)c1ccc(cc1)P(=O)(O)OCCOCc2ccccc2; COC(=O)c1ccc(cc1)[P](O)(=O)OCCOCc2ccccc2 |
(4-methoxycarbonylphenyl)-(2-phenylmethoxyethoxy)phosphinic acid |
| 17503 |  A1L0N |
2 | C9 H11 O6 P | InChI=1S/C9H11O6P/c10-5-6 -15-16(13,14)8-3-1-7(2-4- 8)9(11)12/h1-4,10H,5-6H2, (H,11,12)(H,13,14); PTVSEGAIJIELFJ-UHFFFAOYSA-N |
OCCO[P](O)(=O)c1ccc(cc1)C(O)=O; c1cc(ccc 1C(=O)O)P(=O)(O)OCCO |
4-[2-hydroxyethyloxy(oxidanyl)phosphoryl]benzoic acid |
| 17504 |  A1L0O |
3 | C16 H17 O6 P | InChI=1S/C16H17O6P/c17-16 (18)14-6-8-15(9-7-14)23(1 9,20)22-11-10-21-12-13-4- 2-1-3-5-13/h1-9H,10-12H2, (H,17,18)(H,19,20); YNAKBZQLAJKZSN-UHFFFAOYSA-N |
OC(=O)c1ccc(cc1)[P](O)(=O)OCCOCc2ccccc2; c1ccc(cc1)COCCOP(=O)(c2ccc(cc2)C(=O)O)O |
4-[oxidanyl(2-phenylmethoxyethoxy)phosphoryl]benzoic acid |
| 17505 |  A1L0P |
3 | C23 H25 N O4 | InChI=1S/C23H25NO4/c1-4-5 -16-15-6-7-19(25-2)23(26- 3)18(15)12-24-9-8-14-10-2 0-21(28-13-27-20)11-17(14 )22(16)24/h4,6-7,10-11,16 ,22H,1,5,8-9,12-13H2,2-3H 3/t16-,22+/m1/s1; GDEMFXCLPBLWJW-ZHRRBRCNSA-N |
COc1ccc2c(c1OC)CN3CCc4cc5c(cc4C3C2CC=C)O CO5; COc1ccc2[CH](CC=C)[CH]3N(CCc4cc5OCO c5cc34)Cc2c1OC; COc1ccc2[C@@H](CC=C)[C@@ H]3N(CCc4cc5OCOc5cc34)Cc2c1OC; COc1ccc2c (c1OC)CN3CCc4cc5c(cc4[C@@H]3[C@@H]2CC=C) OCO5 |
PSFL1191 |
| 17506 |  A1L0Q CHEMBL5591252 |
3 | C24 H19 Cl2 F5 N6 O4 | InChI=1S/C24H19Cl2F5N6O4/ c1-9-32-34-23(37(9)16-6-1 1(25)2-3-12(16)24(29,30)3 1)22-21(40)19(20(39)17(8- 38)41-22)36-7-15(33-35-36 )10-4-13(27)18(26)14(28)5 -10/h2-7,17,19-22,38-40H, 8H2,1H3/t17-,19+,20+,21-, 22-/m1/s1; JRURYEFDCGQBFQ-WHCFWRGISA-N |
Cc1nnc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([ C@H]2O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)n1c5c c(Cl)ccc5C(F)(F)F; Cc1nnc(n1c2cc(ccc2C(F )(F)F)Cl)[C@H]3[C@@H]([C@H]([C@H]([C@H]( O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)Cl)F)O; C c1nnc([CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n 3cc(nn3)c4cc(F)c(Cl)c(F)c4)n1c5cc(Cl)ccc 5C(F)(F)F; Cc1nnc(n1c2cc(ccc2C(F)(F)F)Cl )C3C(C(C(C(O3)CO)O)n4cc(nn4)c5cc(c(c(c5) F)Cl)F)O |
(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol |
| 17507 |  A1L0R CHEMBL5591506 |
2 | C24 H19 Br Cl F5 N6 O4 S | InChI=1S/C24H19BrClF5N6O4 S/c1-35-23(42)37(14-6-9(2 6)2-4-11(14)24(29,30)31)2 2(33-35)21-20(40)18(19(39 )15(8-38)41-21)36-7-13(32 -34-36)10-3-5-12(25)17(28 )16(10)27/h2-7,15,18-21,3 8-40H,8H2,1H3/t15-,18+,19 +,20-,21-/m1/s1; DTNXVYSHNSOFNS-YNUHATHGSA-N |
CN1N=C([CH]2O[CH](CO)[CH](O)[CH]([CH]2O) n3cc(nn3)c4ccc(Br)c(F)c4F)N(C1=S)c5cc(Cl )ccc5C(F)(F)F; CN1C(=S)N(C(=N1)C2C(C(C(C (O2)CO)O)n3cc(nn3)c4ccc(c(c4F)F)Br)O)c5c c(ccc5C(F)(F)F)Cl; CN1C(=S)N(C(=N1)[C@H] 2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(n n3)c4ccc(c(c4F)F)Br)O)c5cc(ccc5C(F)(F)F) Cl; CN1N=C([C@@H]2O[C@H](CO)[C@H](O)[C@@ H]([C@H]2O)n3cc(nn3)c4ccc(Br)c(F)c4F)N(C 1=S)c5cc(Cl)ccc5C(F)(F)F |
5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione |
| 17508 |  A1L0S |
24 | C41 H58 O | InChI=1S/C41H58O/c1-34(2) 20-14-23-37(5)26-17-29-38 (6)27-15-24-35(3)21-12-13 -22-36(4)25-16-28-39(7)30 -18-31-40(8)32-19-33-41(9 ,10)42-11/h12-13,15-22,24 -32H,14,23,33H2,1-11H3/b1 3-12+,24-15+,25-16+,29-17 +,30-18+,32-19+,35-21+,36 -22+,37-26+,38-27+,39-28+ ,40-31+; OCDSWQXGIQUZCF-AGVJHCIFSA-N |
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C (C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C)C; CC(=C CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C= C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C) /C)/C)C; COC(C)(C)CC=CC(C)=CC=CC(C)=CC=C C(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C )C; COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C /C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C) /CCC=C(C)C |
Anhydrorhodovibrin ; (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene |
| 17509 |  A1L0T |
0 | C4 H11 O3 P | InChI=1S/C4H11O3P/c1-4(2) 3-8(5,6)7/h4H,3H2,1-2H3,( H2,5,6,7); HAEFDDOAYBQRGK-UHFFFAOYSA-N |
CC(C)CP(=O)(O)O; CC(C)C[P](O)(O)=O | 2-methylpropylphosphonic acid |
| 17510 |  A1L0U CHEMBL5595398 |
1 | C9 H11 N3 O4 | InChI=1S/C9H11N3O4/c1-4-8 (15)7(12-5(2)11-4)9(16)10 -3-6(13)14/h15H,3H2,1-2H3 ,(H,10,16)(H,13,14); HXKWBCRFXFVMTI-UHFFFAOYSA-N |
Cc1nc(C)c(O)c(n1)C(=O)NCC(O)=O; Cc1c(c(n c(n1)C)C(=O)NCC(=O)O)O |
2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid |
| 17511 |  A1L0V CHEMBL5590581 |
2 | C15 H14 F N3 O4 | InChI=1S/C15H14FN3O4/c1-8 -18-11(6-9-2-4-10(16)5-3- 9)14(22)13(19-8)15(23)17- 7-12(20)21/h2-5,22H,6-7H2 ,1H3,(H,17,23)(H,20,21); MNJZVYOQKXSJCJ-UHFFFAOYSA-N |
Cc1nc(Cc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)= O; Cc1nc(c(c(n1)C(=O)NCC(=O)O)O)Cc2ccc(c c2)F |
2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid |
| 17512 |  A1L0W CHEMBL5591697 |
4 | C16 H16 F N3 O4 | InChI=1S/C16H16FN3O4/c1-9 -19-12(7-4-10-2-5-11(17)6 -3-10)15(23)14(20-9)16(24 )18-8-13(21)22/h2-3,5-6,2 3H,4,7-8H2,1H3,(H,18,24)( H,21,22); OCRDRHRUSCHDBJ-UHFFFAOYSA-N |
Cc1nc(c(c(n1)C(=O)NCC(=O)O)O)CCc2ccc(cc2 )F; Cc1nc(CCc2ccc(F)cc2)c(O)c(n1)C(=O)NC C(O)=O |
2-[[6-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid |
| 17513 |  A1L0X CHEMBL5589856 |
1 | C21 H19 N3 O4 | InChI=1S/C21H19N3O4/c1-13 -20(27)19(21(28)22-12-18( 25)26)24-17(23-13)11-14-7 -9-16(10-8-14)15-5-3-2-4- 6-15/h2-10,27H,11-12H2,1H 3,(H,22,28)(H,25,26); RNJLQAHYMHEWME-UHFFFAOYSA-N |
Cc1c(c(nc(n1)Cc2ccc(cc2)c3ccccc3)C(=O)NC C(=O)O)O; Cc1nc(Cc2ccc(cc2)c3ccccc3)nc(C (=O)NCC(O)=O)c1O |
2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid |
| 17514 |  A1L0Y |
7 | C34 H30 F N3 O4 | InChI=1S/C34H30FN3O4/c1-1 9-13-23(35)14-20(2)30(19) 41-28-12-11-22(34(3,4)40) 15-24(28)26-18-38(5)33(39 )25-16-29(42-31(25)26)27- 17-36-32(37-27)21-9-7-6-8 -10-21/h6-18,40H,1-5H3,(H ,36,37); VUSLJIDUEUBGQH-UHFFFAOYSA-N |
Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c 4)c5cnc([nH]5)c6ccccc6)C)C(C)(C)O)C)F; C N1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)c4ccccc4) c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O |
7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one |
| 17515 |  A1L10 CHEMBL5575992 |
1 | C27 H36 F N3 O2 | InChI=1S/C27H36FN3O2/c1-2 0(2)18-33-24-10-6-21(7-11 -24)16-29-26(32)31(17-22- 4-8-23(28)9-5-22)25-12-15 -30(3)19-27(25)13-14-27/h 4-11,20,25H,12-19H2,1-3H3 ,(H,29,32); KQRKHYJZSCKWTF-UHFFFAOYSA-N |
CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)C 3CCN(CC34CC4)C; CC(C)COc1ccc(CNC(=O)N(Cc 2ccc(F)cc2)[C@H]3CCN(C)CC34CC4)cc1; CC(C )COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[CH]3CCN( C)CC34CC4)cc1; CC(C)COc1ccc(cc1)CNC(=O)N (Cc2ccc(cc2)F)[C@H]3CCN(CC34CC4)C |
1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea |
| 17516 |  A1L11 CHEMBL2111101 DB05316 |
2 | C25 H34 F N3 O2 | InChI=1S/C25H34FN3O2/c1-1 9(2)18-31-24-10-6-20(7-11 -24)16-27-25(30)29(23-12- 14-28(3)15-13-23)17-21-4- 8-22(26)9-5-21/h4-11,19,2 3H,12-18H2,1-3H3,(H,27,30 ); RKEWSXXUOLRFBX-UHFFFAOYSA-N |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C3CCN (C)CC3)cc1; CC(C)COc1ccc(cc1)CNC(=O)N(Cc 2ccc(cc2)F)C3CCN(CC3)C |
Pimavanserin; 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea |
| 17517 |  A1L12 |
20 | C40 H44 F N3 O4 | InChI=1S/C40H44FN3O4/c1-7 -31-34(43-38(42-31)40-17- 23-12-24(18-40)14-25(13-2 3)19-40)33-16-29-36(48-33 )30(20-44(6)37(29)45)28-1 5-26(39(4,5)46)8-9-32(28) 47-35-21(2)10-27(41)11-22 (35)3/h8-11,15-16,20,23-2 5,46H,7,12-14,17-19H2,1-6 H3,(H,42,43)/t23-,24-,25- ,40-; HZYKAGKNCZZUQL-PLKAPHTHSA-N |
CCc1c([nH]c(n1)C23CC4CC(C2)CC(C4)C3)c5cc 6c(o5)C(=CN(C6=O)C)c7cc(ccc7Oc8c(cc(cc8C )F)C)C(C)(C)O; CCc1nc([nH]c1c2oc3c(c2)C( =O)N(C)C=C3c4cc(ccc4Oc5c(C)cc(F)cc5C)C(C )(C)O)C67CC8CC(CC(C8)C6)C7 |
2-(2-(adamantan-1-yl)-4-ethyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methylfuro[3,2-c]pyridin-4(5H)-one |
| 17518 |  A1L13 CHEMBL329640 |
16 | C16 H16 N2 S | InChI=1S/C16H16N2S/c1-11- 4-9-14-15(10-11)19-16(17- 14)12-5-7-13(8-6-12)18(2) 3/h4-10H,1-3H3; OEOPVJYUCSQVMJ-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)c2sc3cc(C)ccc3n2; Cc1ccc2 c(c1)sc(n2)c3ccc(cc3)N(C)C |
~{N},~{N}-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline |
| 17519 |  A1L14 |
4 | C20 H26 N4 O8 P2 S | InChI=1S/C20H26N4O8P2S/c1 -13-18(8-9-31-34(29,30)32 -33(26,27)28)35-20(17(25) 10-15-6-4-3-5-7-15)24(13) 12-16-11-22-14(2)23-19(16 )21/h3-7,11,25H,8-10,12H2 ,1-2H3,(H,29,30)(H2,21,22 ,23)(H2,26,27,28)/b20-17+; PQLDEUIZUIQZPQ-LVZFUZTISA-N |
Cc1ncc(CN2C(=C(CCO[P](O)(=O)O[P](O)(O)=O )SC2=C(O)Cc3ccccc3)C)c(N)n1; Cc1ncc(c(n1 )N)CN\2C(=C(S/C2=C(\Cc3ccccc3)/O)CCOP(=O )(O)OP(=O)(O)O)C; Cc1ncc(c(n1)N)CN2C(=C( SC2=C(Cc3ccccc3)O)CCOP(=O)(O)OP(=O)(O)O) C; Cc1ncc(CN/2C(=C(CCO[P](O)(=O)O[P](O)( O)=O)SC/2=C(O)/Cc3ccccc3)C)c(N)n1 |
2-[(2~{E})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanyl-2-phenyl-ethylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
| 17520 |  A1L15 |
4 | C25 H37 N10 O26 P5 | InChI=1S/C25H37N10O26P5/c 26-19-11-21(30-4-28-19)34 (6-32-11)23-16(39)13(36)8 (55-23)1-52-63(44,45)60-6 4(46,47)53-2-9-14(37)17(4 0)25(57-9)58-18-15(38)10( 3-54-65(48,49)61-66(50,51 )59-62(41,42)43)56-24(18) 35-7-33-12-20(27)29-5-31- 22(12)35/h4-10,13-18,23-2 5,36-40H,1-3H2,(H,44,45)( H,46,47)(H,48,49)(H,50,51 )(H2,26,28,30)(H2,27,29,3 1)(H2,41,42,43)/t8-,9-,10 -,13-,14-,15-,16-,17-,18- ,23-,24-,25+/m1/s1; BLHBPWIRUPJXKW-VIUUMBSUSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O [P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH] (CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[C H]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O )[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](C O[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@@H](O[ C@@H]5[C@H](O)[C@@H](CO[P](O)(=O)O[P](O) (=O)O[P](O)(O)=O)O[C@H]5n6cnc7c(N)ncnc67 )[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O; c1nc (c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O )(O)OCC4C(C(C(O4)OC5C(C(OC5n6cnc7c6ncnc7 N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)O) O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@ H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4 [C@H]([C@H]([C@@H](O4)O[C@@H]5[C@@H]([C@ H](O[C@H]5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O )(O)OP(=O)(O)O)O)O)O)O)O)N |
[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate; ADPr-ATP |
| 17521 |  A1L16 |
1 | C15 H15 N O | InChI=1S/C15H15NO/c1-10(2 )15(17)12-7-4-3-6-11(12)1 4-13(15)8-5-9-16-14/h3-10 ,17H,1-2H3/t15-/m1/s1; VQGAKSMYTWYVAJ-OAHLLOKOSA-N |
CC(C)[C]1(O)c2ccccc2c3ncccc13; CC(C)C1(c 2ccccc2-c3c1cccn3)O; CC(C)[C@]1(c2ccccc2 -c3c1cccn3)O; CC(C)[C@@]1(O)c2ccccc2c3nc ccc13 |
(5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol |
| 17522 |  A1L17 |
1 | C16 H11 F3 O3 | InChI=1S/C16H11F3O3/c1-22 -14(20)10-6-4-8-12-13(10) 9-5-2-3-7-11(9)15(12,21)1 6(17,18)19/h2-8,21H,1H3/t 15-/m1/s1; STXAPIKTOCNBKD-OAHLLOKOSA-N |
COC(=O)c1cccc2c1-c3ccccc3C2(C(F)(F)F)O; COC(=O)c1cccc2c1-c3ccccc3[C@@]2(C(F)(F)F )O; COC(=O)c1cccc2c1c3ccccc3[C]2(O)C(F)( F)F; COC(=O)c1cccc2c1c3ccccc3[C@]2(O)C(F )(F)F |
methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate |
| 17523 |  A1L1A |
2 | C41 H74 N7 O17 P3 S | InChI=1S/C41H74N7O17P3S/c 1-26(2)11-8-12-27(3)13-9- 14-28(4)15-10-16-29(5)21- 32(50)69-20-19-43-31(49)1 7-18-44-39(53)36(52)41(6, 7)23-62-68(59,60)65-67(57 ,58)61-22-30-35(64-66(54, 55)56)34(51)40(63-30)48-2 5-47-33-37(42)45-24-46-38 (33)48/h24-30,34-36,40,51 -52H,8-23H2,1-7H3,(H,43,4 9)(H,44,53)(H,57,58)(H,59 ,60)(H2,42,45,46)(H2,54,5 5,56)/t27-,28-,29-,30-,34 +,35+,36+,40-/m1/s1; NRJQGHHZMSOUEN-SOYJUKJHSA-N |
C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)C C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP( =O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@@H]([C @@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; C C(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC(=O) SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)( =O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O [P](O)(O)=O)n2cnc3c(N)ncnc23; CC(C)CCCC( C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C (C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1) n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CC(C)CCC[ C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)SC CNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(= O)O[P](O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@ H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 |
phytanoyl-CoA; S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S,7R,11R)-3,7,11,15-tetramethylhexadecanethioate; Phytanoyl-coenzyme A |
| 17524 |  A1L1B |
2 | C30 H29 F N4 O3 | InChI=1S/C30H29FN4O3/c1-2 0(22-11-13-25(31)14-12-22 )34-29(38)30(3,24-10-7-17 -32-18-24)35(28(37)21(2)3 6)26-15-16-27(33-19-26)23 -8-5-4-6-9-23/h4-21,36H,1 -3H3,(H,34,38)/t20-,21+,3 0+/m0/s1; GMJWOUHXKFRKLP-KSWJDTNCSA-N |
C[C@@H](c1ccc(cc1)F)NC(=O)[C@@](C)(c2ccc nc2)N(c3ccc(nc3)c4ccccc4)C(=O)[C@@H](C)O ; C[CH](O)C(=O)N(c1ccc(nc1)c2ccccc2)[C]( C)(C(=O)N[CH](C)c3ccc(F)cc3)c4cccnc4; CC (c1ccc(cc1)F)NC(=O)C(C)(c2cccnc2)N(c3ccc (nc3)c4ccccc4)C(=O)C(C)O; C[C@@H](O)C(=O )N(c1ccc(nc1)c2ccccc2)[C@@](C)(C(=O)N[C@ @H](C)c3ccc(F)cc3)c4cccnc4 |
(2~{R})-~{N}-[(1~{S})-1-(4-fluorophenyl)ethyl]-2-[[(2~{R})-2-oxidanylpropanoyl]-(6-phenylpyridin-3-yl)amino]-2-pyridin-3-yl-propanamide |
| 17525 |  A1L1C |
2 | C43 H74 N O8 P | InChI=1S/C43H74NO8P/c1-3- 5-7-9-11-13-15-17-18-19-2 0-21-22-24-26-28-30-32-34 -36-43(46)52-41(40-51-53( 47,48)50-38-37-44)39-49-4 2(45)35-33-31-29-27-25-23 -16-14-12-10-8-6-4-2/h5,7 ,11,13,17-18,20-21,24,26, 30,32,41H,3-4,6,8-10,12,1 4-16,19,22-23,25,27-29,31 ,33-40,44H2,1-2H3,(H,47,4 8)/b7-5-,13-11-,18-17-,21 -20-,26-24-,32-30-/t41-/m 1/s1; MPWUZHVZZKSTPV-MADBQMNMSA-N |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O C(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC; CCCCCC CCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)O C(=O)CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C\C= C/CC; CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O )(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\ C/C=C\C/C=C\CC; CCCCCCCCCCCCCCCC(=O)OC[C H](CO[P](O)(=O)OCCN)OC(=O)CCC=CCC=CCC=CC C=CCC=CCC=CCC |
[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (4~{Z},7~{Z},10~{Z},13~{Z},16~{Z},19~{Z})-docosa-4,7,10,13,16,19-hexaenoate |
| 17526 |  A1L1D |
1 | C26 H27 N3 O4 | InChI=1S/C26H27N3O4/c1-3- 4-17-33-21-15-11-19(12-16 -21)25(30)28-29-24(18-9-1 3-20(32-2)14-10-18)27-23- 8-6-5-7-22(23)26(29)31/h5 -16,24,27H,3-4,17H2,1-2H3 ,(H,28,30)/t24-/m1/s1; XORVAHQXRDLSFT-XMMPIXPASA-N |
CCCCOc1ccc(cc1)C(=O)NN2[C@@H](Nc3ccccc3C 2=O)c4ccc(cc4)OC; CCCCOc1ccc(cc1)C(=O)NN 2[C@@H](Nc3ccccc3C2=O)c4ccc(OC)cc4; CCCC Oc1ccc(cc1)C(=O)NN2C(Nc3ccccc3C2=O)c4ccc (cc4)OC; CCCCOc1ccc(cc1)C(=O)NN2[CH](Nc3 ccccc3C2=O)c4ccc(OC)cc4 |
C1R; 4-butoxy-~{N}-[(2~{R})-2-(4-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide; Quin C1 |
| 17527 |  A1L1E CHEMBL3675743 |
2 | C24 H28 N6 O | InChI=1S/C24H28N6O/c1-4-2 1-20(22-26-15(2)13-16(3)3 0(22)29-21)14-17-5-7-18(8 -6-17)23-27-28-24(31-23)1 9-9-11-25-12-10-19/h5-8,1 3,19,25H,4,9-12,14H2,1-3H 3; HXPQWNPLNIEJOW-UHFFFAOYSA-N |
CCc1nn2c(C)cc(C)nc2c1Cc3ccc(cc3)c4oc(nn4 )C5CCNCC5; CCc1c(c2nc(cc(n2n1)C)C)Cc3ccc (cc3)c4nnc(o4)C5CCNCC5 |
NE52-QQ57; 2-[4-[(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole |
| 17528 |  A1L1F |
50 | C50 H72 O7 | InChI=1S/C50H72O7/c1-12-1 3-14-15-16-27-45(53)55-36 -41(30-31-50-47(8,9)32-42 (52)33-49(50,11)57-50)26- 20-25-38(3)22-18-17-21-37 (2)23-19-24-39(4)28-29-44 -46(6,7)34-43(56-40(5)51) 35-48(44,10)54/h17-26,28, 30-31,42-43,52,54H,12-16, 27,32-36H2,1-11H3/b18-17+ ,23-19+,25-20+,31-30+,37- 21+,38-22+,39-24+,41-26-/ t29-,42-,43-,48+,49+,50-/ m0/s1; JYJFYJLLQQTZBJ-AYSGSIDZSA-N |
CCCCCCCC(=O)OC/C(=C\C=C\C(=C\C=C\C=C(/C) \C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)O C(=O)C)(C)O)\C)/C=C/[C@]23[C@](O2)(C[C@H ](CC3(C)C)O)C; CCCCCCCC(=O)OCC(=CC=CC(=C C=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)OC( =O)C)(C)C)C)C=CC23C(CC(CC2(O3)C)O)(C)C; CCCCCCCC(=O)OCC(=C/C=C/C(C)=C/C=C/C=C(C) /C=C/C=C(C)/[CH]=[C@]=[C]1C(C)(C)C[C@@H] (C[C@@]1(C)O)OC(C)=O)\C=C\[C@@]23O[C@]2( C)C[C@@H](O)CC3(C)C; CCCCCCCC(=O)OCC(=CC =CC(C)=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C]1C (C)(C)C[CH](C[C]1(C)O)OC(C)=O)C=C[C]23O[ C]2(C)C[CH](O)CC3(C)C |
[(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E})-17-[(4~{S},6~{R})-4-acetyloxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]-6,11,15-trimethyl-2-[(~{E})-2-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] octanoate |
| 17529 |  A1L1G |
65 | C40 H56 O5 | InChI=1S/C40H56O5/c1-29(1 6-12-17-31(3)20-21-35-36( 4,5)24-33(42)26-38(35,8)4 4)14-10-11-15-30(2)18-13- 19-32(28-41)22-23-40-37(6 ,7)25-34(43)27-39(40,9)45 -40/h10-20,22-23,33-34,41 -44H,24-28H2,1-9H3/b11-10 +,16-12+,18-13+,23-22+,29 -14+,30-15+,31-17+,32-19- /t21-,33+,34+,38-,39-,40+ /m1/s1; OWWSPDNLRSCPIS-XZHZJERWSA-N |
CC(=C/C=C/C=C(C)/C=C/C=C(CO)/C=C/[C@@]12 O[C@]1(C)C[C@@H](O)CC2(C)C)\C=C\C=C(C)\[ CH]=[C@@]=[C]3C(C)(C)C[C@H](O)C[C@@]3(C) O; CC(=CC=CC=C(C)C=CC=C(CO)C=CC12C(CC(CC 1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C) O)O)(C)C; C/C(=C\C=C\C=C(/C)\C=C\C=C(/CO )\C=C\[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C) /C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)O )(C)O; CC(=CC=CC=C(C)C=CC=C(CO)C=C[C]12O [C]1(C)C[CH](O)CC2(C)C)C=CC=C(C)[CH]=[C] =[C]3C(C)(C)C[CH](O)C[C]3(C)O |
(1~{R},3~{S})-6-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{Z},17~{E})-16-(hydroxymethyl)-3,7,12-trimethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol |
| 17530 |  A1L1H |
1 | C43 H82 N O8 P | InChI=1S/C43H82NO8P/c1-5- 7-9-11-13-15-17-19-21-23- 25-27-29-31-33-35-42(45)4 9-39-41(40-51-53(47,48)50 -38-37-44(3)4)52-43(46)36 -34-32-30-28-26-24-22-20- 18-16-14-12-10-8-6-2/h19- 22,41H,5-18,23-40H2,1-4H3 ,(H,47,48)/b21-19-,22-20- /t41-/m1/s1; XHPZRQBHFOVLEJ-UNUIOPIBSA-N |
CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(= O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CCC CCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C )C)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCC\C= C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN(C )C)OC(=O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCC/ C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C )C)OC(=O)CCCCCCC/C=C\CCCCCCCC |
[(2~{R})-3-[2-(dimethylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate |
| 17531 |  A1L1M |
2 | C18 H26 O2 | InChI=1S/C18H26O2/c1-13(7 -6-8-15(3)19)9-10-17-14(2 )11-16(20)12-18(17,4)5/h6 -10,16,20H,11-12H2,1-5H3/ b8-6+,10-9+,13-7+/t16-/m0 /s1; JLNMEHQAHDSEEE-FRIDJMAZSA-N |
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=O)C)C; CC(=O)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C) C; CC(=O)\C=C\C=C(C)\C=C\C1=C(C)C[C@H](O )CC1(C)C; CC1=C(C(C[C@H](C1)O)(C)C)/C=C/ C(=CC=CC(=O)C)C |
(7E)-6-methyl-8-[(4S)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octa-3,5,7-trien-2-one |
| 17532 |  A1L1N |
3 | C19 H17 F4 N O | InChI=1S/C19H17F4NO/c1-12 (20)18(25)24-9-8-14-2-3-1 5(10-16(14)11-24)13-4-6-1 7(7-5-13)19(21,22)23/h2-7 ,10,12H,8-9,11H2,1H3/t12- /m1/s1; SBGBAMLYHBLWPL-GFCCVEGCSA-N |
C[C@H](C(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C( F)(F)F)F; C[C@@H](F)C(=O)N1CCc2ccc(cc2C1 )c3ccc(cc3)C(F)(F)F; C[CH](F)C(=O)N1CCc2 ccc(cc2C1)c3ccc(cc3)C(F)(F)F; CC(C(=O)N1 CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F)F |
(2~{R})-2-fluoranyl-1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one |
| 17533 |  A1L1O |
3 | C19 H18 F3 N O | InChI=1S/C19H18F3NO/c1-2- 18(24)23-10-9-14-3-4-15(1 1-16(14)12-23)13-5-7-17(8 -6-13)19(20,21)22/h3-8,11 H,2,9-10,12H2,1H3; ZYQGABWQIVIATN-UHFFFAOYSA-N |
CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F) F |
1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one |
| 17534 |  A1L1P |
2 | C7 H14 O7 | InChI=1S/C7H14O7/c8-1-2(9 )6-4(11)3(10)5(12)7(13)14 -6/h2-13H,1H2/t2-,3-,4-,5 -,6+,7+/m0/s1; BGWQRWREUZVRGI-KLJZZCKASA-N |
OC[C@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H ](O)[C@@H]1O; C(C(C1C(C(C(C(O1)O)O)O)O)O )O; OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O) [CH]1O; C([C@@H]([C@@H]1[C@H]([C@@H]([C@ @H]([C@@H](O1)O)O)O)O)O)O |
(2R,3S,4S,5S,6R)-6-[(1S)-1,2-bis(oxidanyl)ethyl]oxane-2,3,4,5-tetrol; L-glycero-beta-D-manno-heptopyranose |
| 17535 |  A1L1R |
0 | C22 H21 N7 O2 | InChI=1S/C22H21N7O2/c1-13 -3-5-15-7-9-17(28-21(15)2 4-13)26-19(30)11-23-12-20 (31)27-18-10-8-16-6-4-14( 2)25-22(16)29-18/h3-10,23 H,11-12H2,1-2H3,(H,24,26, 28,30)(H,25,27,29,31); MZXAMJKGPGUUGY-UHFFFAOYSA-N |
Cc1ccc2ccc(nc2n1)NC(=O)CNCC(=O)Nc3ccc4cc c(nc4n3)C; Cc1ccc2ccc(NC(=O)CNCC(=O)Nc3c cc4ccc(C)nc4n3)nc2n1 |
~{N}-(7-methyl-1,8-naphthyridin-2-yl)-2-[[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanamide |
| 17536 |  A1L1S CHEMBL5269888 |
0 | C24 H25 N7 O2 | InChI=1S/C24H25N7O2/c1-15 -3-5-17-7-9-19(30-23(17)2 6-15)28-21(32)11-13-25-14 -12-22(33)29-20-10-8-18-6 -4-16(2)27-24(18)31-20/h3 -10,25H,11-14H2,1-2H3,(H, 26,28,30,32)(H,27,29,31,3 3); QZBZQIYEBGGLJT-UHFFFAOYSA-N |
Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)Nc3ccc4 ccc(nc4n3)C; Cc1ccc2ccc(NC(=O)CCNCCC(=O) Nc3ccc4ccc(C)nc4n3)nc2n1 |
~{N}-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxidanylidene-propyl]amino]propanamide |
| 17537 |  A1L1U |
2 | C19 H19 N3 O6 | InChI=1S/C19H19N3O6/c20-1 5(10-1-5-12(23)6-2-10)17( 25)21-14-9-22(18(14)26)16 (19(27)28)11-3-7-13(24)8- 4-11/h1-8,14-16,23-24H,9, 20H2,(H,21,25)(H,27,28)/t 14-,15-,16-/m0/s1; SAVAPYNOQXYBJS-JYJNAYRXSA-N |
c1cc(ccc1[C@H](C(=O)N[C@H]2CN(C2=O)[C@H] (c3ccc(cc3)O)C(=O)O)N)O; N[CH](C(=O)N[CH ]1CN([CH](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc( O)cc3; c1cc(ccc1C(C(=O)NC2CN(C2=O)C(c3cc c(cc3)O)C(=O)O)N)O; N[C@H](C(=O)N[C@H]1C N([C@H](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O) cc3 |
Nocardicin G; (2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid |
| 17538 |  A1L1V |
1 | C22 H32 O3 | InChI=1S/C22H32O3/c1-14-8 -11-22(12-9-14)13-10-16-7 -6-15(2)17(18(16)22)19(20 (23)24)25-21(3,4)5/h6-7,1 4,19H,8-13H2,1-5H3,(H,23, 24)/t14-,19?,22-; YQKPBBPKXKYAIA-XYFPIFFSSA-N |
C[CH]1CC[C]2(CC1)CCc3ccc(C)c([CH](OC(C)( C)C)C(O)=O)c23; Cc1ccc2c(c1[C@@H](C(=O)O )OC(C)(C)C)C3(CC2)CCC(CC3)C; C[C@@H]1CC[ C@@]2(CC1)CCc3ccc(C)c([C@H](OC(C)(C)C)C( O)=O)c23; Cc1ccc2c(c1C(C(=O)O)OC(C)(C)C) C3(CC2)CCC(CC3)C |
(2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
| 17539 |  A1L1W |
1 | C30 H45 N O4 | InChI=1S/C30H45NO4/c1-19- 12-15-30(16-13-19)17-14-2 2-23(27(32)31-21-10-8-6-7 -9-11-21)18-20(2)24(25(22 )30)26(28(33)34)35-29(3,4 )5/h18-19,21,26H,6-17H2,1 -5H3,(H,31,32)(H,33,34)/t 19-,26?,30-; OJRZALXVPTWGHE-ZLGRQJJPSA-N |
C[CH]1CC[C]2(CC1)CCc3c(cc(C)c([CH](OC(C) (C)C)C(O)=O)c23)C(=O)NC4CCCCCC4; Cc1cc(c 2c(c1[C@@H](C(=O)O)OC(C)(C)C)C3(CC2)CCC( CC3)C)C(=O)NC4CCCCCC4; C[C@@H]1CC[C@@]2( CC1)CCc3c(cc(C)c([C@H](OC(C)(C)C)C(O)=O) c23)C(=O)NC4CCCCCC4; Cc1cc(c2c(c1C(C(=O) O)OC(C)(C)C)C3(CC2)CCC(CC3)C)C(=O)NC4CCC CCC4 |
(2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
| 17540 |  A1L1X |
3 | C32 H34 F N3 O5 | InChI=1S/C32H34FN3O5/c1-8 -27-34-24(16-39-7)28(35-2 7)26-14-22-30(41-26)23(15 -36(6)31(22)37)21-13-19(3 2(4,5)38)9-10-25(21)40-29 -17(2)11-20(33)12-18(29)3 /h9-15,38H,8,16H2,1-7H3,( H,34,35); FGMZZPSGWQQHGY-UHFFFAOYSA-N |
CCc1[nH]c(c(COC)n1)c2oc3c(c2)C(=O)N(C)C= C3c4cc(ccc4Oc5c(C)cc(F)cc5C)C(C)(C)O; CC c1[nH]c(c(n1)COC)c2cc3c(o2)C(=CN(C3=O)C) c4cc(ccc4Oc5c(cc(cc5C)F)C)C(C)(C)O |
2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one |
| 17541 |  A1L1Z CHEMBL611029 |
1 | C15 H10 O7 | InChI=1S/C15H10O7/c16-7-3 -1-6(2-4-7)14-13(21)12(20 )10-8(17)5-9(18)11(19)15( 10)22-14/h1-5,16-19,21H; ZDOTZEDNGNPOEW-UHFFFAOYSA-N |
c1cc(ccc1C2=C(C(=O)c3c(cc(c(c3O2)O)O)O)O )O; Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)c( O)c3O2 |
Herbacetin; 2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one |
| 17542 |  A1L20 |
1 | C18 H21 Cl F2 N2 O2 | InChI=1S/C18H21ClF2N2O2/c 19-10-16(24)23(15-5-6-15) 17(11-7-12(20)9-13(21)8-1 1)18(25)22-14-3-1-2-4-14/ h7-9,14-15,17H,1-6,10H2,( H,22,25)/t17-/m1/s1; QCBHBBUSQYJKAT-QGZVFWFLSA-N |
c1c(cc(cc1F)F)[C@H](C(=O)NC2CCCC2)N(C3CC 3)C(=O)CCl; Fc1cc(F)cc(c1)[C@@H](N(C2CC2 )C(=O)CCl)C(=O)NC3CCCC3; c1c(cc(cc1F)F)C (C(=O)NC2CCCC2)N(C3CC3)C(=O)CCl; Fc1cc(F )cc(c1)[CH](N(C2CC2)C(=O)CCl)C(=O)NC3CCC C3 |
(2~{R})-2-[3,5-bis(fluoranyl)phenyl]-2-[2-chloranylethanoyl(cyclopropyl)amino]-~{N}-cyclopentyl-ethanamide |
| 17543 |  A1L22 |
6 | C17 H19 N11 O5 | InChI=1S/C17H19N11O5/c18- 12-11(14(30)24-16(19)23-1 2)22-17(33)20-8-3-1-7(2-4 -8)13(29)21-9(15(31)32)5- 6-10-25-27-28-26-10/h1-4, 9H,5-6H2,(H,21,29)(H,31,3 2)(H2,20,22,33)(H,25,26,2 7,28)(H5,18,19,23,24,30)/ t9-/m0/s1; DYAJTEFYYZBPLF-VIFPVBQESA-N |
c1cc(ccc1C(=O)N[C@@H](CCc2[nH]nnn2)C(=O) O)NC(=O)NC3=C(N=C(NC3=O)N)N; c1cc(ccc1C( =O)NC(CCc2[nH]nnn2)C(=O)O)NC(=O)NC3=C(N= C(NC3=O)N)N; NC1=NC(=C(NC(=O)Nc2ccc(cc2) C(=O)N[CH](CCc3[nH]nnn3)C(O)=O)C(=O)N1)N ; NC1=NC(=C(NC(=O)Nc2ccc(cc2)C(=O)N[C@@H ](CCc3[nH]nnn3)C(O)=O)C(=O)N1)N |
(2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid |
| 17544 |  A1L23 |
6 | C17 H18 Cl N7 O7 | InChI=1S/C17H18ClN7O7/c18 -7-5-6(13(28)21-9(15(30)3 1)3-4-10(26)27)1-2-8(7)22 -17(32)23-11-12(19)24-16( 20)25-14(11)29/h1-2,5,9H, 3-4H2,(H,21,28)(H,26,27)( H,30,31)(H2,22,23,32)(H5, 19,20,24,25,29)/t9-/m0/s1; BJAUZBHLYBAGGA-VIFPVBQESA-N |
NC1=NC(=C(NC(=O)Nc2ccc(cc2Cl)C(=O)N[CH]( CCC(O)=O)C(O)=O)C(=O)N1)N; c1cc(c(cc1C(= O)NC(CCC(=O)O)C(=O)O)Cl)NC(=O)NC2=C(N=C( NC2=O)N)N; NC1=NC(=C(NC(=O)Nc2ccc(cc2Cl) C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)N1)N; c1cc(c(cc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C l)NC(=O)NC2=C(N=C(NC2=O)N)N |
(2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-chloranyl-phenyl]carbonylamino]pentanedioic acid |
| 17545 |  A1L24 |
6 | C17 H18 Cl N11 O5 | InChI=1S/C17H18ClN11O5/c1 8-7-5-6(13(30)21-9(15(32) 33)3-4-10-26-28-29-27-10) 1-2-8(7)22-17(34)23-11-12 (19)24-16(20)25-14(11)31/ h1-2,5,9H,3-4H2,(H,21,30) (H,32,33)(H2,22,23,34)(H, 26,27,28,29)(H5,19,20,24, 25,31)/t9-/m0/s1; LOIWNLZLSHHXMZ-VIFPVBQESA-N |
c1cc(c(cc1C(=O)N[C@@H](CCc2[nH]nnn2)C(=O )O)Cl)NC(=O)NC3=C(N=C(NC3=O)N)N; NC1=NC( =C(NC(=O)Nc2ccc(cc2Cl)C(=O)N[C@@H](CCc3[ nH]nnn3)C(O)=O)C(=O)N1)N; c1cc(c(cc1C(=O )NC(CCc2[nH]nnn2)C(=O)O)Cl)NC(=O)NC3=C(N =C(NC3=O)N)N; NC1=NC(=C(NC(=O)Nc2ccc(cc2 Cl)C(=O)N[CH](CCc3[nH]nnn3)C(O)=O)C(=O)N 1)N |
(2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-chloranyl-phenyl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid |
| 17546 |  A1L25 |
6 | C18 H21 N7 O7 | InChI=1S/C18H21N7O7/c1-7- 6-8(14(28)21-10(16(30)31) 4-5-11(26)27)2-3-9(7)22-1 8(32)23-12-13(19)24-17(20 )25-15(12)29/h2-3,6,10H,4 -5H2,1H3,(H,21,28)(H,26,2 7)(H,30,31)(H2,22,23,32)( H5,19,20,24,25,29)/t10-/m 0/s1; IIRDXYBDXIIREK-JTQLQIEISA-N |
Cc1cc(ccc1NC(=O)NC2=C(N)N=C(N)NC2=O)C(=O )N[C@@H](CCC(O)=O)C(O)=O; Cc1cc(ccc1NC(= O)NC2=C(N=C(NC2=O)N)N)C(=O)N[C@@H](CCC(= O)O)C(=O)O; Cc1cc(ccc1NC(=O)NC2=C(N)N=C( N)NC2=O)C(=O)N[CH](CCC(O)=O)C(O)=O; Cc1c c(ccc1NC(=O)NC2=C(N=C(NC2=O)N)N)C(=O)NC( CCC(=O)O)C(=O)O |
(2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-methyl-phenyl]carbonylamino]pentanedioic acid |
| 17547 |  A1L26 |
3 | C47 H85 O19 P3 | InChI=1S/C47H85O19P3/c1-3 -5-7-9-11-13-15-17-19-20- 22-23-25-27-29-31-33-35-4 0(48)61-37-39(63-41(49)36 -34-32-30-28-26-24-21-18- 16-14-12-10-8-6-4-2)38-62 -69(59,60)66-45-42(50)43( 51)46(64-67(53,54)55)47(4 4(45)52)65-68(56,57)58/h1 1,13,17,19,22-23,27,29,39 ,42-47,50-52H,3-10,12,14- 16,18,20-21,24-26,28,30-3 8H2,1-2H3,(H,59,60)(H2,53 ,54,55)(H2,56,57,58)/b13- 11+,19-17+,23-22+,29-27+/ t39-,42-,43+,44-,45+,46+, 47+/m1/s1; WSOUXFSBLZNSFX-BSWMUMJKSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CCC =CCC=CCC=CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O )OP(=O)(O)O)OP(=O)(O)O)O)O; CCCCCCCCCCCC CCCCCC(=O)O[C@H](COC(=O)CCC/C=C/C/C=C/C/ C=C/C/C=C/CCCCC)COP(=O)(O)O[C@H]1[C@@H]( [C@@H]([C@@H]([C@H]([C@@H]1O)OP(=O)(O)O) OP(=O)(O)O)O)O; CCCCCCCCCCCCCCCCCC(=O)O[ CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)CO[P] (O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)( O)=O)[CH](O[P](O)(O)=O)[CH]1O; CCCCCCCCC CCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C/C/C=C /C/C=C/C/C=C/CCCCC)CO[P](O)(=O)O[C@H]1[C @H](O)[C@H](O)[C@H](O[P](O)(O)=O)[C@@H]( O[P](O)(O)=O)[C@@H]1O |
Pip2(20:4/18:0); [(2R)-3-[hydroxy-[(1S,5S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate; Phosphatidylinositol Diphosphate(20:4n6/18:0) |
| 17548 |  A1L27 |
1 | C32 H45 N O7 | InChI=1S/C32H45NO7/c1-6-2 7-21(4)12-13-31(40-27)17- 25-16-24(39-31)11-10-20(3 )14-19(2)8-7-9-23-18-37-2 9-28(33-36)22(5)15-26(30( 34)38-25)32(23,29)35/h7-1 0,15,19,21,24-27,29,35-36 H,6,11-14,16-18H2,1-5H3/b 8-7+,20-10+,23-9+,33-28-/ t19-,21-,24+,25-,26-,27+, 29+,31+,32+/m0/s1; YCAZFHUABUMOIM-JUBNYKKYSA-N |
CCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4CO C5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)C)C; CC[C @@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2 )C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]\5[C@@] 4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)\C)C; CC[CH]1O[C]2(CC[CH]1C)C[CH]3C[CH](CC=C( C)C[CH](C)C=CC=C4CO[CH]5C(=NO)C(=C[CH](C (=O)O3)[C]45O)C)O2; CC[C@H]1O[C@]2(CC[C@ @H]1C)C[C@@H]3C[C@@H](C\C=C(/C)C[C@@H](C )\C=C\C=C4/CO[C@@H]5\C(=N/O)C(=C[C@@H](C (=O)O3)[C@]45O)C)O2 |
milbemycin oxime; (1~{R},4~{S},5'~{S},6~{R},6'~{R},8~{R},10~{E},10~{R},13~{R},14~{E},16~{E},21~{Z},24~{S})-6'-ethyl-21-hydroxyimino-5',11,13,22-tetramethyl-24-oxidanyl-spiro[3,7,19-trioxatetracyclo[15.6.1.1^{4,8}.1^{20,24}]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one; Milbemycin A4 oxime |
| 17549 |  A1L2A |
2 | C25 H28 N4 O | InChI=1S/C25H28N4O/c1-18- 7-8-19(29-15-13-28(2)14-1 6-29)17-21(18)24(30)27-25 (10-11-25)22-9-12-26-23-6 -4-3-5-20(22)23/h3-9,12,1 7H,10-11,13-16H2,1-2H3,(H ,27,30); LZLUSPLHJLQEPU-UHFFFAOYSA-N |
Cc1ccc(cc1C(=O)NC2(CC2)c3ccnc4c3cccc4)N5 CCN(CC5)C; CN1CCN(CC1)c2ccc(C)c(c2)C(=O) NC3(CC3)c4ccnc5ccccc45 |
2-methyl-5-(4-methylpiperazin-1-yl)-~{N}-(1-quinolin-4-ylcyclopropyl)benzamide |
| 17550 |  A1L2B |
2 | C38 H74 O8 | InChI=1S/C38H74O8/c1-3-5- 7-9-11-13-15-17-19-21-23- 25-27-29-32(39)31(28-26-2 4-22-20-18-16-14-12-10-8- 6-4-2)37(43)45-30-33-34(4 0)35(41)36(42)38(44)46-33 /h31-36,38-42,44H,3-30H2, 1-2H3/t31-,32-,33-,34-,35 +,36-,38+/m1/s1; AQVWXIRCPXPVPT-DGHSZEKHSA-N |
CCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCC CC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H ](O1)O)O)O)O)O; CCCCCCCCCCCCCCC[CH](O)[C H](CCCCCCCCCCCCCC)C(=O)OC[CH]1O[CH](O)[C H](O)[CH](O)[CH]1O; CCCCCCCCCCCCCCC[C@@H ](O)[C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1O [C@H](O)[C@H](O)[C@@H](O)[C@@H]1O; CCCCC CCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OCC1C( C(C(C(O1)O)O)O)O)O |
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2R,3R)-3-oxidanyl-2-tetradecyl-octadecanoate |
| 17551 |  A1L2C CHEMBL406541 |
4 | C10 H8 O4 | InChI=1S/C10H8O4/c11-5-6- 3-10(13)14-9-4-7(12)1-2-8 (6)9/h1-4,11-12H,5H2; IWPNSXBCZANXBC-UHFFFAOYSA-N |
c1cc2c(cc1O)OC(=O)C=C2CO; OCC1=CC(=O)Oc2 cc(O)ccc12 |
4-(hydroxymethyl)-7-oxidanyl-chromen-2-one |
| 17552 |  A1L2D |
3 | C12 H10 O5 | InChI=1S/C12H10O5/c1-2-16 -12(15)9-6-11(14)17-10-5- 7(13)3-4-8(9)10/h3-6,13H, 2H2,1H3; SNMUERBNQDOIQB-UHFFFAOYSA-N |
CCOC(=O)C1=CC(=O)Oc2c1ccc(c2)O; CCOC(=O) C1=CC(=O)Oc2cc(O)ccc12 |
ethyl 7-oxidanyl-2-oxidanylidene-chromene-4-carboxylate |
| 17553 |  A1L2E |
1 | C17 H13 N O4 | InChI=1S/C17H13NO4/c19-17 -9-8-15(22-17)10-14-7-6-1 3(11-16(14)18(20)21)12-4- 2-1-3-5-12/h1-9,11,15H,10 H2/t15-/m1/s1; RCYKWQHJOBNQFZ-OAHLLOKOSA-N |
c1ccc(cc1)c2ccc(c(c2)N(=O)=O)C[C@H]3C=CC (=O)O3; O=C1O[CH](Cc2ccc(cc2[N](=O)=O)c3 ccccc3)C=C1; O=C1O[C@@H](Cc2ccc(cc2[N](= O)=O)c3ccccc3)C=C1; c1ccc(cc1)c2ccc(c(c2 )N(=O)=O)CC3C=CC(=O)O3 |
(2~{S})-2-[(2-nitro-4-phenyl-phenyl)methyl]-2~{H}-furan-5-one |
| 17554 |  A1L2F |
2 | C46 H90 O16 P2 | InChI=1S/C46H90O16P2/c1-3 -5-7-9-11-13-15-17-19-21- 23-25-27-29-31-33-35-40(4 8)60-38(36-58-39(47)34-32 -30-28-26-24-22-20-18-16- 14-12-10-8-6-4-2)37-59-64 (56,57)62-46-43(51)41(49) 45(42(50)44(46)52)61-63(5 3,54)55/h38,41-46,49-52H, 3-37H2,1-2H3,(H,56,57)(H2 ,53,54,55)/t38-,41-,42+,4 3-,44-,45-,46+/m1/s1; COUAKIOKTIUSGM-OPACOYSQSA-N |
CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC CCCCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)OP (=O)(O)O)O)O; CCCCCCCCCCCCCCCCCCC(=O)O[C H](COC(=O)CCCCCCCCCCCCCCCCC)CO[P](O)(=O) O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[C H](O)[CH]1O; CCCCCCCCCCCCCCCCCCC(=O)O[C@ H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC 1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O )O)O)O; CCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO C(=O)CCCCCCCCCCCCCCCCC)CO[P](O)(=O)O[C@@ H]1[C@H](O)[C@H](O)[C@H](O[P](O)(O)=O)[C @H](O)[C@H]1O |
[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] nonadecanoate |
| 17555 |  A1L2G CHEMBL1213747 |
1 | C4 H11 N O | InChI=1S/C4H11NO/c1-4(2,3 )6-5/h5H2,1-3H3; KKVUFSINQFSJNK-UHFFFAOYSA-N |
CC(C)(C)ON | O-tert-Butylhydroxylamine |
| 17556 |  A1L2H |
1 | C16 H26 N O6 P S | InChI=1S/C16H26NO6PS/c1-3 -4-5-6-11-23-14-9-7-13(8- 10-14)16(24(20,21)22)25-1 2-15(18)17(2)19/h7-10,16, 19H,3-6,11-12H2,1-2H3,(H2 ,20,21,22)/t16-/m0/s1; MYKXVMXVVQHLFD-INIZCTEOSA-N |
CCCCCCOc1ccc(cc1)[C@H](SCC(=O)N(C)O)[P]( O)(O)=O; CCCCCCOc1ccc(cc1)C(P(=O)(O)O)SC C(=O)N(C)O; CCCCCCOc1ccc(cc1)[C@@H](P(=O )(O)O)SCC(=O)N(C)O; CCCCCCOc1ccc(cc1)[CH ](SCC(=O)N(C)O)[P](O)(O)=O |
[(~{S})-(4-hexoxyphenyl)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-methyl]phosphonic acid |
| 17557 |  A1L2I CHEMBL2051980 |
1 | C14 H25 N O8 | InChI=1S/C14H25NO8/c1-5-8 (11(19)13(21)14(22-2)23-5 )15-7-3-6(4-16)9(17)12(20 )10(7)18/h3,5,7-21H,4H2,1 -2H3/t5-,7+,8-,9-,10+,11+ ,12+,13-,14+/m1/s1; KFHKERRGDZTZQJ-SHCNSHNESA-N |
CO[CH]1O[CH](C)[CH](N[CH]2C=C(CO)[CH](O) [CH](O)[CH]2O)[CH](O)[CH]1O; CO[C@H]1O[C @H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H ](O)[C@H]2O)[C@H](O)[C@H]1O; CC1C(C(C(C( O1)OC)O)O)NC2C=C(C(C(C2O)O)O)CO; C[C@@H] 1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)N[C@ H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO |
Acarviosin; (1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol |
| 17558 |  A1L2J CHEMBL327980 |
3 | C21 H27 N3 O3 S | InChI=1S/C21H27N3O3S/c1-1 6-4-3-5-19(22-16)12-15-24 -13-10-18(11-14-24)21(25) 17-6-8-20(9-7-17)23-28(2, 26)27/h3-9,18,23H,10-15H2 ,1-2H3; SRUISGSHWFJION-UHFFFAOYSA-N |
Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(N[S](C)(= O)=O)cc3)n1; Cc1cccc(n1)CCN2CCC(CC2)C(=O )c3ccc(cc3)NS(=O)(=O)C |
~{N}-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide |
| 17559 |  A1L2K CHEMBL211502 |
3 | C12 H12 Cl N7 O | InChI=1S/C12H12ClN7O/c13- 8-10(15)19-9(14)7(18-8)11 (21)20-12(16)17-6-4-2-1-3 -5-6/h1-5H,(H4,14,15,19)( H3,16,17,20,21); NIOHELZQFBGCEO-UHFFFAOYSA-N |
c1ccc(cc1)NC(=N)NC(=O)c2c(nc(c(n2)Cl)N)N ; Nc1nc(N)c(nc1Cl)C(=O)NC(=N)Nc2ccccc2 |
phenamil; 3,5-bis(azanyl)-6-chloranyl-~{N}-(~{N}-phenylcarbamimidoyl)pyrazine-2-carboxamide |
| 17560 |  A1L2L |
1 | C16 H16 N2 O6 | InChI=1S/C16H16N2O6/c19-1 2(20)7-17-15(22)13-14(21) 10-3-1-2-4-11(10)18(16(13 )23)24-8-9-5-6-9/h1-4,9,2 3H,5-8H2,(H,17,22)(H,19,2 0); UWIIFTJFUAMASV-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)C(=C(N2OCC3CC3)O)C(=O)NC C(=O)O; OC(=O)CNC(=O)C1=C(O)N(OCC2CC2)c3 ccccc3C1=O |
2-[[1-(cyclopropylmethoxy)-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid |
| 17561 |  A1L2M CHEMBL5594973 |
2 | C25 H28 N8 O | InChI=1S/C25H28N8O/c1-16( 19-9-6-17-4-2-3-5-20(17)1 4-19)27-22-15-21(31-10-12 -32(13-11-31)24(26)34)28- 25-29-23(18-7-8-18)30-33( 22)25/h2-6,9,14-16,18,27H ,7-8,10-13H2,1H3,(H2,26,3 4)/t16-/m1/s1; TUOBKNKUSLWHLI-MRXNPFEDSA-N |
CC(c1ccc2ccccc2c1)Nc3cc(nc4n3nc(n4)C5CC5 )N6CCN(CC6)C(=O)N; C[C@H](c1ccc2ccccc2c1 )Nc3cc(nc4n3nc(n4)C5CC5)N6CCN(CC6)C(=O)N ; C[CH](Nc1cc(nc2nc(nn12)C3CC3)N4CCN(CC4 )C(N)=O)c5ccc6ccccc6c5; C[C@@H](Nc1cc(nc 2nc(nn12)C3CC3)N4CCN(CC4)C(N)=O)c5ccc6cc ccc6c5 |
4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide |
| 17562 |  A1L2O |
2 | C22 H24 N8 O8 P S4 | InChI=1S/C22H23N8O8PS4/c1 -3-38-27-16(17-26-21(43-2 9-17)28-39(35,36)37)18(32 )23-12(8-31)19-25-15(20(3 3)34)14(10-40-19)42-22-24 -13(9-41-22)11-4-6-30(2)7 -5-11/h4-9,12,19,25H,3,10 H2,1-2H3,(H4-,23,26,28,29 ,32,33,34,35,36,37)/p+1/b 27-16-/t12-,19-/m1/s1; FPOBTJLCBVZDBU-WMEYXJDLSA-O |
CCON=C(c1nc(sn1)NP(=O)(O)O)C(=O)NC(C=O)C 2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O )O; CCON=C(C(=O)N[CH](C=O)[CH]1NC(=C(CS1 )Sc2scc(n2)c3cc[n+](C)cc3)C(O)=O)c4nsc(N [P](O)(O)=O)n4; CCO/N=C(C(=O)N[C@H](C=O) [C@@H]1NC(=C(CS1)Sc2scc(n2)c3cc[n+](C)cc 3)C(O)=O)/c4nsc(N[P](O)(O)=O)n4; CCO/N=C (/c1nc(sn1)NP(=O)(O)O)\C(=O)N[C@H](C=O)[ C@@H]2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C )C(=O)O |
(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-2-oxidanylidene-ethyl]-5-[[4-(1-methylpyridin-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
| 17563 |  A1L2P |
4 | C26 H29 N3 O4 | InChI=1S/C26H29N3O4/c1-18 -20(11-8-12-22(18)19-9-4- 3-5-10-19)17-33-26-27-15- 21(24(28-26)32-2)16-29-14 -7-6-13-23(29)25(30)31/h3 -5,8-12,15,23H,6-7,13-14, 16-17H2,1-2H3,(H,30,31)/t 23-/m0/s1; ANUJMSZHAOMHOI-QHCPKHFHSA-N |
COc1nc(OCc2cccc(c2C)c3ccccc3)ncc1CN4CCCC [C@H]4C(O)=O; Cc1c(cccc1c2ccccc2)COc3ncc (c(n3)OC)CN4CCCC[C@H]4C(=O)O; Cc1c(cccc1 c2ccccc2)COc3ncc(c(n3)OC)CN4CCCCC4C(=O)O ; COc1nc(OCc2cccc(c2C)c3ccccc3)ncc1CN4CC CC[CH]4C(O)=O |
(2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid |
| 17564 |  A1L2T |
7 | C20 H17 N5 O2 | InChI=1S/C20H17N5O2/c21-2 0-24-16(13-2-1-3-15-14(13 )6-7-22-15)9-19(25-20)23- 10-12-4-5-17-18(8-12)27-1 1-26-17/h1-9,22H,10-11H2, (H3,21,23,24,25); SPALQHNRNFKUDI-UHFFFAOYSA-N |
Nc1nc(NCc2ccc3OCOc3c2)cc(n1)c4cccc5[nH]c cc45; c1cc(c2cc[nH]c2c1)c3cc(nc(n3)N)NCc 4ccc5c(c4)OCO5 |
~{N}4-(1,3-benzodioxol-5-ylmethyl)-6-(1~{H}-indol-4-yl)pyrimidine-2,4-diamine |
| 17565 |  A1L2U |
0 | C11 H20 N2 O3 | InChI=1S/C11H20N2O3/c12-7 -3-1-2-6-10(14)13-8-4-5-9 (13)11(15)16/h9H,1-8,12H2 ,(H,15,16)/t9-/m1/s1; QNBNDBVJPAQODD-SECBINFHSA-N |
NCCCCCC(=O)N1CCC[C@@H]1C(O)=O; C1CC(N(C1 )C(=O)CCCCCN)C(=O)O; NCCCCCC(=O)N1CCC[CH ]1C(O)=O |
1-(6-azanylhexanoyl)pyrrolidine-2-carboxylic acid |
| 17566 |  A1L2V |
1 | C15 H11 Cl O4 | InChI=1S/C15H11ClO4/c16-1 2-7-9(2-6-14(12)19)1-5-13 (18)11-4-3-10(17)8-15(11) 20/h1-8,17,19-20H/b5-1+; ROHDVIDCQSNCQQ-ORCRQEGFSA-N |
c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)Cl)O; O c1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Cl)c2; Oc 1ccc(c(O)c1)C(=O)\C=C\c2ccc(O)c(Cl)c2; c 1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Cl)O |
(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one |
| 17567 |  A1L2W |
1 | C15 H11 Br O4 | InChI=1S/C15H11BrO4/c16-1 2-7-9(2-6-14(12)19)1-5-13 (18)11-4-3-10(17)8-15(11) 20/h1-8,17,19-20H/b5-1+; YOXIGWQDHRYVTE-ORCRQEGFSA-N |
c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Br)O; c1c c(c(cc1/C=C/C(=O)c2ccc(cc2O)O)Br)O; Oc1c cc(c(O)c1)C(=O)\C=C\c2ccc(O)c(Br)c2; Oc1 ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Br)c2 |
(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one |
| 17568 |  A1L2Z CHEMBL592524 |
1 | C11 H10 O4 | InChI=1S/C11H10O4/c1-14-6 -7-4-11(13)15-10-5-8(12)2 -3-9(7)10/h2-5,12H,6H2,1H 3; PRVOZGKAZHXKMM-UHFFFAOYSA-N |
COCC1=CC(=O)Oc2c1ccc(c2)O; COCC1=CC(=O)O c2cc(O)ccc12 |
7-Hydroxy-4-methoxymethylcoumarin; 4-(methoxymethyl)-7-oxidanyl-chromen-2-one |
| 17569 |  A1L30 |
1 | C22 H25 N7 O2 S | InChI=1S/C22H25N7O2S/c1-4 -5-8-28-13-16(11-25-28)29 (12-14-6-7-14)22-26-18(20 (23)30)19(32-22)17-9-15(1 0-24-17)21(31)27(2)3/h9-1 1,13-14,24H,6-8,12H2,1-3H 3,(H2,23,30); HACYEVIDLDLIII-UHFFFAOYSA-N |
CC#CCn1cc(cn1)N(CC2CC2)c3sc(c4[nH]cc(c4) C(=O)N(C)C)c(n3)C(N)=O; CC#CCn1cc(cn1)N( CC2CC2)c3nc(c(s3)c4cc(c[nH]4)C(=O)N(C)C) C(=O)N |
2-((1-(but-2-yn-1-yl)-1H-pyrazol-4-yl)(cyclopropylmethyl)amino)-5-(4-(dimethylcarbamoyl)-1H-pyrrol-2-yl)thiazole-4-carboxamide |
| 17570 |  A1L31 |
2 | C25 H24 F N7 O2 S | InChI=1S/C25H24FN7O2S/c1- 31(2)25(35)23-22(30-20-8- 7-15(26)13-33(20)23)14-11 -32(12-14)21-9-17(24(34)2 8-10-19(27)36)16-5-3-4-6- 18(16)29-21/h3-9,13-14H,1 0-12H2,1-2H3,(H2,27,36)(H ,28,34); ZCOFOZHMMNQONH-UHFFFAOYSA-N |
CN(C)C(=O)c1c(nc2n1cc(cc2)F)C3CN(C3)c4cc (c5ccccc5n4)C(=O)NCC(=S)N; CN(C)C(=O)c1n 2cc(F)ccc2nc1C3CN(C3)c4cc(C(=O)NCC(N)=S) c5ccccc5n4 |
~{N}-(2-azanyl-2-sulfanylidene-ethyl)-2-[3-[3-(dimethylcarbamoyl)-6-fluoranyl-imidazo[1,2-a]pyridin-2-yl]azetidin-1-yl]quinoline-4-carboxamide |
| 17571 |  A1L32 |
0 | C58 H92 N6 O17 | InChI=1S/C58H92N6O17/c1-1 5-43-58(10,72)52(81-55-47 (68)46(67)49(42(29-65)77- 55)74-30-37-16-18-39(19-1 7-37)64-28-40(60-61-64)38 -20-22-59-23-21-38)35(6)6 3(13)27-31(2)25-56(8,71)5 1(80-54-45(66)41(62(11)12 )24-32(3)75-54)33(4)48(34 (5)53(70)78-43)79-44-26-5 7(9,73-14)50(69)36(7)76-4 4/h16-23,28,31-36,41-52,5 4-55,65-69,71-72H,15,24-2 7,29-30H2,1-14H3/t31-,32- ,33+,34-,35-,36+,41+,42-, 43-,44+,45-,46-,47-,48+,4 9-,50+,51-,52-,54+,55-,56 -,57-,58-/m1/s1; NUWDGIXRDBXIRJ-VBLMKXDASA-N |
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[ C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C )O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC )C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C )O)(C)O)C)C)C)O[C@@H]4[C@@H]([C@H]([C@@H ]([C@H](O4)CO)OCc5ccc(cc5)n6cc(nn6)c7ccn cc7)O)O)(C)O; CC[CH]1OC(=O)[CH](C)[CH](O [CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[CH](C) [CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C ](C)(O)C[CH](C)CN(C)[CH](C)[CH](O[CH]4O[ CH](CO)[CH](OCc5ccc(cc5)n6cc(nn6)c7ccncc 7)[CH](O)[CH]4O)[C]1(C)O; CC[C@H]1OC(=O) [C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H ](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[ C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C [C@@H](C)CN(C)[C@H](C)[C@@H](O[C@H]4O[C@ H](CO)[C@@H](OCc5ccc(cc5)n6cc(nn6)c7ccnc c7)[C@H](O)[C@H]4O)[C@]1(C)O; CCC1C(C(C( N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C )O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C )C)C)OC4C(C(C(C(O4)CO)OCc5ccc(cc5)n6cc(n n6)c7ccncc7)O)O)(C)O |
(2~{R},3~{R},4~{R},5~{R},8~{R},10~{R},11~{R},12~{S},13~{S},14~{R})-11-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-4-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4-bis(oxidanyl)-5-[[4-(4-pyridin-4-yl-1,2,3-triazol-1-yl)phenyl]methoxy]oxan-2-yl]oxy-13-[(2~{R},4~{R},5~{S},6~{S})-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one; KU-13, chemically modified azithromycin |
| 17572 |  A1L33 |
1 | C37 H25 F3 N6 O14 S2 | InChI=1S/C37H25F3N6O14S2/ c38-37(39,40)21-10-24-26( 46(14-27(47)48)35(51)34(5 0)44-24)11-25(21)45-8-7-1 5(13-45)12-43-33(49)16-1- 2-17(20(9-16)36(52)53)28- 18-3-5-22(41)31(61(54,55) 56)29(18)60-30-19(28)4-6- 23(42)32(30)62(57,58)59/h 1-11,13,41H,12,14,42H2,(H ,43,49)(H,44,50)(H,47,48) (H,52,53)(H,54,55,56)(H,5 7,58,59)/b41-22-; WYMZJRUHFVFSCC-YTJQMYRNSA-N |
[H]/N=C\1/C=CC2=C(c3ccc(c(c3OC2=C1S(=O)( =O)O)S(=O)(=O)O)N)c4ccc(cc4C(=O)O)C(=O)N Cc5ccn(c5)c6cc7c(cc6C(F)(F)F)NC(=O)C(=O) N7CC(=O)O; Nc1ccc2c(OC3=C(C(=N)C=CC3=C2c 4ccc(cc4C(O)=O)C(=O)NCc5ccn(c5)c6cc7N(CC (O)=O)C(=O)C(=O)Nc7cc6C(F)(F)F)[S](O)(=O )=O)c1[S](O)(=O)=O; c1cc(c(cc1C(=O)NCc2c cn(c2)c3cc4c(cc3C(F)(F)F)NC(=O)C(=O)N4CC (=O)O)C(=O)O)C5=C6C=CC(=N)C(=C6Oc7c5ccc( c7S(=O)(=O)O)N)S(=O)(=O)O |
2-(3-azanyl-6-azanylidene-4,5-disulfo-xanthen-9-yl)-5-[[1-[4-(2-hydroxy-2-oxoethyl)-2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1~{H}-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoyl]benzoic acid |
| 17573 |  A1L34 |
2 | C42 H79 O10 P | InChI=1S/C42H79O10P/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-31-33-41(45)51 -39(35-43)37-49-53(47,48) 50-38-40(36-44)52-42(46)3 4-32-30-28-26-24-22-20-18 -16-14-12-10-8-6-4-2/h17- 20,39-40,43-44H,3-16,21-3 8H2,1-2H3,(H,47,48)/b19-1 7-,20-18-/t39-,40-/m0/s1; ZCXRIDHJRROVJY-JOZUOZHYSA-N |
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COP(=O)( OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CO)O )CO; CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO )CO[P](O)(=O)OC[C@H](CO)OC(=O)CCCCCCC\C= C/CCCCCCCC; CCCCCCCCC=CCCCCCCCC(=O)OC(CO )COP(=O)(O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCC CC; CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P ](O)(=O)OC[CH](CO)OC(=O)CCCCCCCC=CCCCCCC CC |
[(2~{S})-1-[[(2~{S})-2-[(~{Z})-octadec-9-enoyl]oxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate |
| 17574 |  A1L35 |
6 | C10 H23 N O7 P | InChI=1S/C10H22NO7P/c1-9( 12)16-7-10(13)8-18-19(14, 15)17-6-5-11(2,3)4/h10,13 H,5-8H2,1-4H3/p+1/t10-/m1 /s1; RYCNUMLMNKHWPZ-SNVBAGLBSA-O |
CC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O ; CC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O; CC(=O)OC[C@@H](O)CO[P](O)(=O)OCC[N+](C)( C)C; CC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+]( C)(C)C |
2-[[(2~{R})-3-acetyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium |
| 17575 |  A1L36 CHEMBL453905 |
4 | C7 H3 Br2 N O | InChI=1S/C7H3Br2NO/c8-5-1 -4(3-10)2-6(9)7(5)11/h1-2 ,11H; UPMXNNIRAGDFEH-UHFFFAOYSA-N |
Oc1c(Br)cc(cc1Br)C#N; c1c(cc(c(c1Br)O)Br )C#N |
bromoxynil; 3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile |
| 17576 |  A1L37 CHEMBL509523 |
3 | C7 H3 I2 N O | InChI=1S/C7H3I2NO/c8-5-1- 4(3-10)2-6(9)7(5)11/h1-2, 11H; NRXQIUSYPAHGNM-UHFFFAOYSA-N |
c1c(cc(c(c1I)O)I)C#N; Oc1c(I)cc(cc1I)C#N | ioxynil; 3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile |
| 17577 |  A1L38 CHEMBL1485557 |
4 | C12 H9 Cl N2 O3 | InChI=1S/C12H9ClN2O3/c13- 11-10(18-8-4-2-1-3-5-8)7- 6-9(12(11)14)15(16)17/h1- 7H,14H2; DDBMQDADIHOWIC-UHFFFAOYSA-N |
Nc1c(Cl)c(Oc2ccccc2)ccc1[N+]([O-])=O; c1 ccc(cc1)Oc2ccc(c(c2Cl)N)[N+](=O)[O-] |
Aclonifen; 2-chloranyl-6-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-3-phenoxy-aniline |
| 17578 |  A1L3A CHEMBL4650443 DB16823 |
2 | C20 H15 F3 N8 | InChI=1S/C20H15F3N8/c1-29 -9-11-6-14(15(21)7-17(11) 27-29)20(22,23)19-26-25-1 8-5-4-16(28-31(18)19)12-8 -24-30(10-12)13-2-3-13/h4 -10,13H,2-3H2,1H3; QHXLXUIZUCJRKV-UHFFFAOYSA-N |
Cn1cc2cc(c(cc2n1)F)C(c3nnc4n3nc(cc4)c5cn n(c5)C6CC6)(F)F; Cn1cc2cc(c(F)cc2n1)C(F) (F)c3nnc4ccc(nn34)c5cnn(c5)C6CC6 |
bozitinib; 9-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-3-(1-cyclopropylpyrazol-4-yl)-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraene; Vebreltinib |
| 17579 |  A1L3B |
2 | C28 H28 N6 O | InChI=1S/C28H28N6O/c1-19( 21-10-8-20(13-29)9-11-21) 14-31-27(22-6-4-3-5-7-22) 26-17-30-25-12-23(15-32-2 8(25)35-26)24-16-33-34(2) 18-24/h3-12,15-16,18-19,2 6-27,30-31H,14,17H2,1-2H3 /t19-,26+,27-/m1/s1; CMLDQXRCCGCFFB-PGMDNKBISA-N |
CC(CNC(c1ccccc1)C2CNc3cc(cnc3O2)c4cnn(c4 )C)c5ccc(cc5)C#N; C[C@H](CN[C@H](c1ccccc 1)[C@@H]2CNc3cc(cnc3O2)c4cnn(c4)C)c5ccc( cc5)C#N; C[CH](CN[CH]([CH]1CNc2cc(cnc2O1 )c3cnn(C)c3)c4ccccc4)c5ccc(cc5)C#N; C[C@ H](CN[C@@H]([C@@H]1CNc2cc(cnc2O1)c3cnn(C )c3)c4ccccc4)c5ccc(cc5)C#N |
4-[(2~{S})-1-[[(~{R})-[(3~{S})-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-3-yl]-phenyl-methyl]amino]propan-2-yl]benzenecarbonitrile |
| 17580 |  A1L3C |
8 | C17 H19 F2 N3 O2 | InChI=1S/C17H19F2N3O2/c1- 5-9-22-14-11(7-6-8-12(14) 24-16(18)19)15(21-22)20-1 3(23)10-17(2,3)4/h1,6-8,1 6H,9-10H2,2-4H3,(H,20,21, 23); GKEXCIJSZUBAKE-UHFFFAOYSA-N |
CC(C)(C)CC(=O)Nc1nn(CC#C)c2c(OC(F)F)cccc 12; CC(C)(C)CC(=O)Nc1c2cccc(c2n(n1)CC#C) OC(F)F |
~{N}-[7-[bis(fluoranyl)methoxy]-1-prop-2-ynyl-indazol-3-yl]-3,3-dimethyl-butanamide |
| 17581 |  A1L3D |
8 | C19 H23 F2 N3 O2 | InChI=1S/C19H23F2N3O2/c1- 4-8-13(9-5-2)18(25)22-17- 14-10-7-11-15(26-19(20)21 )16(14)24(23-17)12-6-3/h3 ,7,10-11,13,19H,4-5,8-9,1 2H2,1-2H3,(H,22,23,25); LDQBXERCNCIKDE-UHFFFAOYSA-N |
CCCC(CCC)C(=O)Nc1nn(CC#C)c2c(OC(F)F)cccc 12; CCCC(CCC)C(=O)Nc1c2cccc(c2n(n1)CC#C) OC(F)F |
~{N}-[7-[bis(fluoranyl)methoxy]-1-prop-2-ynyl-indazol-3-yl]-2-propyl-pentanamide |
| 17582 |  A1L3E |
1 | C26 H27 Br N2 O5 | InChI=1S/C26H27BrN2O5/c1- 4-34-21-13-15(12-16(27)25 (21)31)23-22(14(2)28-18-9 -7-10-19(30)24(18)23)26(3 2)29-17-8-5-6-11-20(17)33 -3/h5-6,8,11-13,23,28,31H ,4,7,9-10H2,1-3H3,(H,29,3 2); VFIAGZFUJFJECK-UHFFFAOYSA-N |
CCOc1cc(cc(c1O)Br)C2C3=C(CCCC3=O)NC(=C2C (=O)Nc4ccccc4OC)C; CCOc1cc(cc(Br)c1O)[CH ]2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccccc4O C; CCOc1cc(cc(Br)c1O)[C@@H]2C(=C(C)NC3=C 2C(=O)CCC3)C(=O)Nc4ccccc4OC |
4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-~{N}-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxamide |
| 17583 |  A1L3F CHEMBL4583748 |
0 | C6 H7 Cl N2 | InChI=1S/C6H7ClN2/c7-5-1- 2-6(3-8)9-4-5/h1-2,4H,3,8 H2; KQJKUOYVWLBSDN-UHFFFAOYSA-N |
NCc1ccc(Cl)cn1; c1cc(ncc1Cl)CN | (5-chloranylpyridin-2-yl)methanamine |
| 17584 |  A1L3G |
1 | C23 H27 N3 O4 | InChI=1S/C23H27N3O4/c1-3- 28-20-11-8-15(14-21(20)29 -4-2)23-25-22(26-30-23)18 -7-5-6-17-16(18)9-10-19(1 7)24-12-13-27/h5-8,11,14, 19,24,27H,3-4,9-10,12-13H 2,1-2H3/t19-/m1/s1; NUIKTBLZSPQGCP-LJQANCHMSA-N |
CCOc1ccc(cc1OCC)c2nc(no2)c3cccc4c3CC[C@H ]4NCCO; CCOc1ccc(cc1OCC)c2onc(n2)c3cccc4 [CH](CCc34)NCCO; CCOc1ccc(cc1OCC)c2onc(n 2)c3cccc4[C@@H](CCc34)NCCO; CCOc1ccc(cc1 OCC)c2nc(no2)c3cccc4c3CCC4NCCO |
2-[[(1~{R})-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1~{H}-inden-1-yl]amino]ethanol |
| 17585 |  A1L3H |
1 | C20 H32 | InChI=1S/C20H32/c1-14-7-6 -11-20(5)12-10-17-15(2)8- 9-16(13-18(14)20)19(17,3) 4/h7,16,18H,6,8-13H2,1-5H 3/t16-,18+,20-/m1/s1; FRJSECSOXKQMOD-IMFGXOCKSA-N |
CC1=C2CCC3(CCC=C(C3CC(C2(C)C)CC1)C)C; CC 1=C2CC[C]3(C)CCC=C(C)[CH]3C[CH](CC1)C2(C )C; CC1=C2CC[C@@]3(C)CCC=C(C)[C@@H]3C[C@ @H](CC1)C2(C)C; CC1=C2CC[C@]3(CCC=C([C@@ H]3C[C@H](C2(C)C)CC1)C)C |
(1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene |
| 17586 |  A1L3I |
0 | C6 H13 N O3 | InChI=1S/C6H13NO3/c1-6(2, 10)4(7-3)5(8)9/h4,7,10H,1 -3H3,(H,8,9)/t4-/m1/s1; OMDFZKXSWRGNGX-SCSAIBSYSA-N |
CC(C)(C(C(=O)O)NC)O; CN[C@H](C(O)=O)C(C) (C)O; CC(C)([C@@H](C(=O)O)NC)O; CN[CH](C (O)=O)C(C)(C)O |
(2~{S})-3-methyl-2-(methylamino)-3-oxidanyl-butanoic acid; 5-METHYL-4-METHYLAMINO-TETRAHYDRO-PYRAN-2,3,5-TRIOL; 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinose; 3-deoxy-4-C-methyl-3-(methylamino)-L-arabinose; 3-deoxy-4-C-methyl-3-(methylamino)-arabinose |
| 17587 |  A1L3J |
0 | C6 H12 O3 | InChI=1S/C6H12O3/c1-3-4(2 )5(7)6(8)9/h4-5,7H,3H2,1- 2H3,(H,8,9)/t4-,5-/m1/s1; RILPIWOPNGRASR-RFZPGFLSSA-N |
CC[C@@H](C)[C@H](C(=O)O)O; CC[CH](C)[CH] (O)C(O)=O; CCC(C)C(C(=O)O)O; CC[C@@H](C) [C@@H](O)C(O)=O |
(2~{R},3~{R})-3-methyl-2-oxidanyl-pentanoic acid |
| 17588 |  A1L3K |
3 | C25 H23 F3 N2 O | InChI=1S/C25H23F3N2O/c1-1 7(18-6-3-2-4-7-18)29-24(3 1)30-15-14-23-20(16-30)8- 5-9-22(23)19-10-12-21(13- 11-19)25(26,27)28/h2-13,1 7H,14-16H2,1H3,(H,29,31)/ t17-/m1/s1; FDBXVSQDLWMMET-QGZVFWFLSA-N |
CC(c1ccccc1)NC(=O)N2CCc3c(cccc3c4ccc(cc4 )C(F)(F)F)C2; C[C@H](NC(=O)N1CCc2c(C1)cc cc2c3ccc(cc3)C(F)(F)F)c4ccccc4; C[CH](NC (=O)N1CCc2c(C1)cccc2c3ccc(cc3)C(F)(F)F)c 4ccccc4; C[C@@H](c1ccccc1)NC(=O)N2CCc3c( cccc3c4ccc(cc4)C(F)(F)F)C2 |
~{N}-[(1~{S})-1-phenylethyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide |
| 17589 |  A1L3M |
3 | C27 H26 F3 N3 O2 | InChI=1S/C27H26F3N3O2/c28 -27(29,30)21-11-9-18(10-1 2-21)22-8-4-7-20-17-33(16 -15-23(20)22)26(35)32-24( 13-14-25(31)34)19-5-2-1-3 -6-19/h1-12,24H,13-17H2,( H2,31,34)(H,32,35)/t24-/m 1/s1; HWEZEMYRSACYJY-XMMPIXPASA-N |
c1ccc(cc1)C(CCC(=O)N)NC(=O)N2CCc3c(cccc3 c4ccc(cc4)C(F)(F)F)C2; NC(=O)CC[CH](NC(= O)N1CCc2c(C1)cccc2c3ccc(cc3)C(F)(F)F)c4c cccc4; NC(=O)CC[C@H](NC(=O)N1CCc2c(C1)cc cc2c3ccc(cc3)C(F)(F)F)c4ccccc4; c1ccc(cc 1)[C@H](CCC(=O)N)NC(=O)N2CCc3c(cccc3c4cc c(cc4)C(F)(F)F)C2 |
~{N}-[(1~{S})-4-azanyl-4-oxidanylidene-1-phenyl-butyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide |
| 17590 |  A1L3N |
4 | C23 H26 N4 O3 | InChI=1S/C23H26N4O3/c1-14 (2)23(19(12-24)21(25)30-2 2-20(23)15(3)26-27-22)18- 10-16(7-5-4-6-8-28)9-17(1 1-18)13-29/h9-11,14,28-29 H,4,6,8,13,25H2,1-3H3,(H, 26,27)/t23-/m0/s1; IWUCUJZMKDHLOF-QHCPKHFHSA-N |
CC(C)[C@]1(c2cc(CO)cc(c2)C#CCCCO)C(=C(N) Oc3[nH]nc(C)c13)C#N; Cc1c2c([nH]n1)OC(=C ([C@@]2(c3cc(cc(c3)C#CCCCO)CO)C(C)C)C#N) N; Cc1c2c([nH]n1)OC(=C(C2(c3cc(cc(c3)C#C CCCO)CO)C(C)C)C#N)N; CC(C)[C]1(c2cc(CO)c c(c2)C#CCCCO)C(=C(N)Oc3[nH]nc(C)c13)C#N |
(+)-SHIN-2; (4~{R})-6-azanyl-4-[3-(hydroxymethyl)-5-(5-oxidanylpent-1-ynyl)phenyl]-3-methyl-4-propan-2-yl-1~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
| 17591 |  A1L3O |
0 | C9 H13 N2 O10 P | InChI=1S/C9H13N2O10P/c12- 3-1-11(9(16)10-7(3)15)8-6 (14)5(13)4(21-8)2-20-22(1 7,18)19/h1,4-6,8,12-14H,2 H2,(H,10,15,16)(H2,17,18, 19)/t4-,5-,6-,8-/m1/s1; YGRIIPJUCYYPFJ-UAKXSSHOSA-N |
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2 C=C(O)C(=O)NC2=O; O[C@H]1[C@@H](O)[C@@H] (O[C@@H]1CO[P](O)(O)=O)N2C=C(O)C(=O)NC2= O; C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)( O)O)O)O)O; C1=C(C(=O)NC(=O)N1[C@H]2[C@@H ]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O |
5-Hydroxyuridine 5'-phosphate; [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[5-oxidanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
| 17592 |  A1L3P |
0 | C12 H18 N3 O11 P | InChI=1S/C12H18N3O11P/c16 -7(17)2-13-1-5-3-15(12(21 )14-10(5)20)11-9(19)8(18) 6(26-11)4-25-27(22,23)24/ h3,6,8-9,11,13,18-19H,1-2 ,4H2,(H,16,17)(H,14,20,21 )(H2,22,23,24)/t6-,8-,9-, 11-/m1/s1; GYYYHBVNJWAMMS-PNHWDRBUSA-N |
C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O )O)O)CNCC(=O)O; C1=C(C(=O)NC(=O)N1[C@H]2 [C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C NCC(=O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P]( O)(O)=O)N2C=C(CNCC(O)=O)C(=O)NC2=O; O[C@ H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O )N2C=C(CNCC(O)=O)C(=O)NC2=O |
5-Carboxymethylaminomethyluridine; 2-[[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methylamino]ethanoic acid |
| 17593 |  A1L3Q |
1 | C17 H25 N O2 | InChI=1S/C17H25NO2/c1-5-1 6-12(4)13-9-8-10-14(17(13 )20-16)15(11-19)18(6-2)7- 3/h8-10,15,19H,5-7,11H2,1 -4H3/t15-/m0/s1; FXNNNICQCLNEPG-HNNXBMFYSA-N |
CCc1c(c2cccc(c2o1)C(CO)N(CC)CC)C; CCc1c( c2cccc(c2o1)[C@H](CO)N(CC)CC)C; CCN(CC)[ C@@H](CO)c1cccc2c(C)c(CC)oc12; CCN(CC)[C H](CO)c1cccc2c(C)c(CC)oc12 |
CpY; (2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol |
| 17594 |  A1L3S CHEMBL5619310 |
1 | C29 H29 F3 N4 O3 | InChI=1S/C29H29F3N4O3/c1- 15-27(16(2)39-34-15)17-4- 11-25-24(12-17)33-28(35(2 5)18-5-8-20(38-3)9-6-18)2 6-14-23(32)29(37)36(26)19 -7-10-21(30)22(31)13-19/h 4,7,10-13,18,20,23,26H,5- 6,8-9,14H2,1-3H3/t18-,20- ,23-,26-/m0/s1; JLOJBSFFOSCKTK-BYHUZDBLSA-N |
CO[C@@H]1CC[C@H](CC1)n2c(nc3cc(ccc23)c4c (C)onc4C)[C@@H]5C[C@H](F)C(=O)N5c6ccc(F) c(F)c6; Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4C CC(CC4)OC)C5CC(C(=O)N5c6ccc(c(c6)F)F)F; Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)O C)[C@@H]5C[C@@H](C(=O)N5c6ccc(c(c6)F)F)F ; CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c( C)onc4C)[CH]5C[CH](F)C(=O)N5c6ccc(F)c(F) c6 |
(3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one |
| 17595 |  A1L3V CHEMBL3249109 |
6 | C27 H31 N O9 | InChI=1S/C27H31NO9/c1-4-2 7(34)9-13-19(16(10-27)37- 17-8-14(28)22(29)11(2)36- 17)26(33)21-20(24(13)31)2 3(30)12-6-5-7-15(35-3)18( 12)25(21)32/h5-7,11,14,16 -17,22,29,31,33-34H,4,8-1 0,28H2,1-3H3/t11-,14-,16- ,17-,22+,27-/m0/s1; XAMIMZAWZUSOPA-JIGXQNLBSA-N |
CCC1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)O C)O)C(C1)OC5CC(C(C(O5)C)O)N)O; CC[C@@]1( O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C )O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O) c3C1; CC[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4ccc c(c4C3=O)OC)O)[C@H](C1)O[C@H]5C[C@@H]([C @@H]([C@@H](O5)C)O)N)O; CC[C]1(O)C[CH](O [CH]2C[CH](N)[CH](O)[CH](C)O2)c3c(O)c4C( =O)c5c(OC)cccc5C(=O)c4c(O)c3C1 |
(7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione |
| 17596 |  A1L3Y |
0 | C22 H32 N6 O7 | InChI=1S/C22H32N6O7/c23-4 -7-31-10-12-33-13-11-32-9 -6-25-19(29)15-28-14-18-2 1(27-22(28)30)26-20-16(34 -8-5-24)2-1-3-17(20)35-18 /h1-3,14H,4-13,15,23-24H2 ,(H,25,29)(H,26,27,30); IOPVLKFMUHLRKC-UHFFFAOYSA-N |
c1cc2c(c(c1)OCCN)NC3=NC(=O)N(C=C3O2)CC(= O)NCCOCCOCCOCCN; NCCOCCOCCOCCNC(=O)CN1C= C2Oc3cccc(OCCN)c3NC2=NC1=O |
~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide |
| 17597 |  A1L3Z |
2 | C6 H13 N O4 | InChI=1S/C6H13NO4/c8-2-4( 10)5-6(11)3(9)1-7-5/h3-11 H,1-2H2/t3-,4+,5-,6+/m0/s 1; RVNSAAIWCWTCTJ-BGPJRJDNSA-N |
C1[C@@H]([C@H]([C@@H](N1)[C@@H](CO)O)O)O ; OC[C@@H](O)[C@@H]1NC[C@H](O)[C@H]1O; O C[CH](O)[CH]1NC[CH](O)[CH]1O; C1C(C(C(N1 )C(CO)O)O)O |
(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol |
| 17598 |  A1L40 |
1 | C11 H13 N2 O8 P | InChI=1S/C11H13N2O8P/c1-6 -10(15)8(3-13-9(4-14)11(1 6)17)7(2-12-6)5-21-22(18, 19)20/h2-4,9,15H,5H2,1H3, (H,16,17)(H2,18,19,20)/b1 3-3+/t9-/m0/s1; GAMDABAFAVQUPR-BIMOUXMDSA-N |
Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](C=O)C(O )=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=N[CH]( C=O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O )C=NC(C=O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O) (O)O)/C=N/[C@@H](C=O)C(=O)O)O |
(2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanylidene-propanoic acid |
| 17599 |  A1L41 |
4 | C20 H26 N O5 P | InChI=1S/C20H26NO5P/c22-2 0(21(23)16-8-7-11-17-9-3- 1-4-10-17)15-14-19(27(24, 25)26)18-12-5-2-6-13-18/h 1-6,9-10,12-13,19,23H,7-8 ,11,14-16H2,(H2,24,25,26) /t19-/m0/s1; SWCCBIBBKRWVBN-IBGZPJMESA-N |
c1ccc(cc1)CCCCN(C(=O)CC[C@@H](c2ccccc2)P (=O)(O)O)O; ON(CCCCc1ccccc1)C(=O)CC[CH]( c2ccccc2)[P](O)(O)=O; ON(CCCCc1ccccc1)C( =O)CC[C@@H](c2ccccc2)[P](O)(O)=O; c1ccc( cc1)CCCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O |
[(1~{S})-4-oxidanylidene-4-[oxidanyl(4-phenylbutyl)amino]-1-phenyl-butyl]phosphonic acid |
| 17600 |  A1L42 |
1 | C40 H79 O10 P | InChI=1S/C40H79O10P/c1-3- 5-7-9-11-13-15-17-18-20-2 1-23-25-27-29-31-39(43)47 -35-38(36-49-51(45,46)48- 34-37(42)33-41)50-40(44)3 2-30-28-26-24-22-19-16-14 -12-10-8-6-4-2/h37-38,41- 42H,3-36H2,1-2H3,(H,45,46 )/t37-,38+/m1/s1; WYVBOKLMHDFYQD-AMAPPZPBSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)( =O)OC[C@H](O)CO)OC(=O)CCCCCCCCCCCCCCC; C CCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O) OC[C@@H](CO)O)OC(=O)CCCCCCCCCCCCCCC; CCC CCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC [CH](O)CO)OC(=O)CCCCCCCCCCCCCCC; CCCCCCC CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC (=O)CCCCCCCCCCCCCCC |
(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE; [(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] (~{E})-octadec-9-enoate |