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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 13801 |  A1L3V |
2 | 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 |
| 13802 |  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 |
| 13803 |  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 |
| 13804 |  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 |
| 13805 |  A1L4B |
0 | C5 H8 N2 O4 | InChI=1S/C5H8N2O4/c6-3(5( 9)10)1-2-4(8)7-11/h3H,1-2 ,6H2,(H,9,10)/t3-/m0/s1; ITZUSDQPEVIPDK-VKHMYHEASA-N |
N[C@@H](CCC(=O)N=O)C(O)=O; N[CH](CCC(=O) N=O)C(O)=O; C(CC(=O)N=O)C(C(=O)O)N; C(CC (=O)N=O)[C@@H](C(=O)O)N |
(2S)-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid |
| 13806 |  A1L61 |
0 | C24 H24 O6 | InChI=1S/C24H24O6/c1-12(2 )6-7-14-19-17(10-15(25)23 (14)28-5)29-18-11-16-13(8 -9-24(3,4)30-16)21(26)20( 18)22(19)27/h6,8-11,25-26 H,7H2,1-5H3; HQWHKELJHUFLGD-UHFFFAOYSA-N |
COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(O)c3C(=O )c2c1CC=C(C)C; CC(=CCc1c2c(cc(c1OC)O)Oc3 cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C |
8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5,9-bis(oxidanyl)pyrano[3,2-b]xanthen-6-one |
| 13807 |  A1L6N |
0 | C25 H26 N4 O4 | InChI=1S/C25H26N4O4/c30-1 5-19(13-18-10-11-26-23(18 )31)27-24(32)21(12-16-6-2 -1-3-7-16)29-25(33)22-14- 17-8-4-5-9-20(17)28-22/h1 -9,14-15,18-19,21,28H,10- 13H2,(H,26,31)(H,27,32)(H ,29,33)/t18-,19-,21-/m0/s 1; BRFDPJYHCJVJEP-ZJOUEHCJSA-N |
O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2cccc c2)NC(=O)c3[nH]c4ccccc4c3; O=C[C@H](C[C@ @H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O) c3[nH]c4ccccc4c3; c1ccc(cc1)C[C@@H](C(=O )N[C@@H](C[C@@H]2CCNC2=O)C=O)NC(=O)c3cc4 ccccc4[nH]3; c1ccc(cc1)CC(C(=O)NC(CC2CCN C2=O)C=O)NC(=O)c3cc4ccccc4[nH]3 |
~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide |
| 13808 |  A1LTQ |
0 | C21 H32 N8 O15 P2 | InChI=1S/C21H32N8O15P2/c2 2-8(20(33)34)2-1-3-28-19- 15(43-21(28)24)13(31)10(4 2-19)5-40-46(37,38)44-45( 35,36)39-4-9-12(30)14(32) 18(41-9)29-7-27-11-16(23) 25-6-26-17(11)29/h6-10,12 -15,18-19,24,30-32H,1-5,2 2H2,(H,33,34)(H,35,36)(H, 37,38)(H2,23,25,26)/b24-2 1+/t8-,9+,10+,12+,13+,14+ ,15+,18+,19-/m0/s1; FAXYOCQOJNLOLJ-QFBBLTADSA-N |
N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O )(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c( N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O; N[C@@ H](CCCN1[C@H]2O[C@H](CO[P](O)(=O)O[P](O) (=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cn c5c(N)ncnc45)[C@@H](O)[C@H]2OC1=N)C(O)=O ; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O )OP(=O)(O)OCC4C(C5C(O4)N(C(=N)O5)CCCC(C( =O)O)N)O)O)O)N; [H]/N=C/1\N(C2C(O1)C(C(O 2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5 c4ncnc5N)O)O)O)CCCC(C(=O)O)N |
ADP-RIBOXANATED ARGININE; 5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid |
| 13809 |  A1LU1 |
1 | C20 H30 O2 | InChI=1S/C20H30O2/c1-12-1 0-14(21)11-13-4-5-15-16-6 -7-18(22)19(16,2)9-8-17(1 5)20(12,13)3/h10,13,15-18 ,22H,4-9,11H2,1-3H3/t13-, 15-,16-,17-,18-,19-,20-/m 0/s1; ANJQEDFWRSLVBR-VHUDCFPWSA-N |
CC1=CC(=O)C[CH]2CC[CH]3[CH]4CC[CH](O)[C] 4(C)CC[CH]3[C]12C; CC1=CC(=O)CC2C1(C3CCC 4(C(C3CC2)CCC4O)C)C; CC1=CC(=O)C[C@H]2[C @]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@ @H]4O)C)C; CC1=CC(=O)C[C@@H]2CC[C@H]3[C@ @H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C |
(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| 13810 |  A1LU2 |
3 | C15 H17 N O3 | InChI=1S/C15H17NO3/c17-13 -4-1-11(2-5-13)7-8-16-10- 12-3-6-14(18)15(19)9-12/h 1-6,9,16-19H,7-8,10H2; YJYUDTAJVLORNV-UHFFFAOYSA-N |
Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1; c1cc(ccc1 CCNCc2ccc(c(c2)O)O)O |
Norbelladine |
| 13811 |  A1LU4 |
4 | C27 H40 N8 O7 | InChI=1S/C27H40N8O7/c1-15 (2)22-25(41)33-17(10-7-11 -30-27(28)29)23(39)31-14- 20(36)32-18(13-21(37)38)2 4(40)34-19(26(42)35(22)3) 12-16-8-5-4-6-9-16/h4-6,8 -9,15,17-19,22H,7,10-14H2 ,1-3H3,(H,31,39)(H,32,36) (H,33,41)(H,34,40)(H,37,3 8)(H4,28,29,30)/t17-,18+, 19+,22-/m0/s1; AMLYAMJWYAIXIA-JYLXEMOASA-N |
CC(C)[CH]1N(C)C(=O)[CH](Cc2ccccc2)NC(=O) [CH](CC(O)=O)NC(=O)CNC(=O)[CH](CCCNC(N)= N)NC1=O; [H]/N=C(/N)\NCCC[C@H]1C(=O)NCC( =O)N[C@@H](C(=O)N[C@@H](C(=O)N([C@H](C(= O)N1)C(C)C)C)Cc2ccccc2)CC(=O)O; CC(C)C1C (=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)C c2ccccc2)CC(=O)O)CCCNC(=N)N; CC(C)[C@@H] 1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]( CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC 1=O |
2-[(2~{R},5~{R},8~{S},11~{S})-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid |
| 13812 |  A1LU6 |
1 | C19 H15 Cl N4 O | InChI=1S/C19H15ClN4O/c20- 15-3-1-2-12(8-15)10-24-11 -14(5-7-18(24)25)13-4-6-1 6-17(9-13)22-23-19(16)21/ h1-9,11H,10H2,(H3,21,22,2 3); YQVUADHJKWJHAF-UHFFFAOYSA-N |
Nc1n[nH]c2cc(ccc12)C3=CN(Cc4cccc(Cl)c4)C (=O)C=C3; c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c 3ccc4c(c3)[nH]nc4N |
5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one |
| 13813 |  A1LU7 |
4 | C27 H41 N9 O7 | InChI=1S/C27H41N9O7/c28-1 1-5-4-9-18-24(41)34-17(10 -6-12-31-27(29)30)23(40)3 2-15-21(37)33-20(14-22(38 )39)26(43)36-19(25(42)35- 18)13-16-7-2-1-3-8-16/h1- 3,7-8,17-20H,4-6,9-15,28H 2,(H,32,40)(H,33,37)(H,34 ,41)(H,35,42)(H,36,43)(H, 38,39)(H4,29,30,31)/t17-, 18-,19+,20+/m0/s1; NVHPXYIRNJFKTE-VNTMZGSJSA-N |
NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O )[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC (N)=N)NC1=O; c1ccc(cc1)CC2C(=O)NC(C(=O)N C(C(=O)NCC(=O)NC(C(=O)N2)CC(=O)O)CCCNC(= N)N)CCCCN; [H]/N=C(/N)\NCCC[C@H]1C(=O)NC C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C( =O)N1)CCCCN)Cc2ccccc2)CC(=O)O; NCCCC[CH] 1NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](CC(O)=O )NC(=O)CNC(=O)[CH](CCCNC(N)=N)NC1=O |
2-[(2~{R},5~{R},8~{S},11~{S})-8-(4-azanylbutyl)-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid |
| 13814 |  A1LU8 |
10 | C21 H18 F2 N2 O2 | InChI=1S/C21H18F2N2O2/c22 -19-11-15(12-20(23)21(19) 26)18-13-24-6-5-17(18)14- 1-3-16(4-2-14)25-7-9-27-1 0-8-25/h1-6,11-13,26H,7-1 0H2; YUYJEQHNWKQNBT-UHFFFAOYSA-N |
Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC 4; c1cc(ccc1c2ccncc2c3cc(c(c(c3)F)O)F)N4 CCOCC4 |
2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol |
| 13815 |  A1LU9 |
12 | C15 H14 N2 O4 | InChI=1S/C15H14N2O4/c1-9( 18)13-7-8-14(21-13)15(20) 17-12-5-3-11(4-6-12)16-10 (2)19/h3-8H,1-2H3,(H,16,1 9)(H,17,20); VLEXAUHLNJBZLL-UHFFFAOYSA-N |
CC(=O)Nc1ccc(NC(=O)c2oc(cc2)C(C)=O)cc1; CC(=O)c1ccc(o1)C(=O)Nc2ccc(cc2)NC(=O)C |
N-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide |
| 13816 |  A1LUV |
0 | C6 H15 N2 O3 | InChI=1S/C6H14N2O3/c7-3-4 (9)1-2-5(8)6(10)11/h4-5,9 H,1-3,7-8H2,(H,10,11)/p+1 /t4-,5-/m0/s1; YSMODUONRAFBET-WHFBIAKZSA-O |
N[CH](CC[CH](O)C[NH3+])C(O)=O; C(CC(C(=O )O)N)C(C[NH3+])O; N[C@@H](CC[C@H](O)C[NH 3+])C(O)=O |
(5S)-5-HYDROXY-LYSINE; [5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]azanium |
| 13817 |  A1LV1 |
4 | C22 H16 Cl F3 N10 O2 | InChI=1S/C22H16ClF3N10O2/ c1-11-6-12(9-27)7-14(19(3 7)28-2)17(11)30-20(38)16- 8-13(10-35-33-21(31-34-35 )22(24,25)26)32-36(16)18- 15(23)4-3-5-29-18/h3-8H,1 0H2,1-2H3,(H,28,37)(H,30, 38); KNDVJPKNBVIKML-UHFFFAOYSA-N |
CNC(=O)c1cc(cc(C)c1NC(=O)c2cc(Cn3nnc(n3) C(F)(F)F)nn2c4ncccc4Cl)C#N; Cc1cc(cc(c1N C(=O)c2cc(nn2c3c(cccn3)Cl)Cn4nc(nn4)C(F) (F)F)C(=O)NC)C#N |
tetraniliprole; 2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide |
| 13818 |  A1LV4 |
4 | C27 H31 N7 O3 | InChI=1S/C27H31N7O3/c1-16 -18(11-33-14-23(35)24(15- 33)37-3)12-34(31-16)25-8- 9-28-27(30-25)29-19-6-7-2 2-20(10-19)21(13-32(22)2) 26(36)17-4-5-17/h6-10,12- 13,17,23-24,35H,4-5,11,14 -15H2,1-3H3,(H,28,29,30)/ t23-,24-/m0/s1; CBNDBWHBUUWRCT-ZEQRLZLVSA-N |
Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C) C(=O)C5CC5)CN6C[C@@H]([C@H](C6)OC)O; CO[ C@H]1CN(C[C@@H]1O)Cc2cn(nc2C)c3ccnc(Nc4c cc5n(C)cc(C(=O)C6CC6)c5c4)n3; CO[CH]1CN( C[CH]1O)Cc2cn(nc2C)c3ccnc(Nc4ccc5n(C)cc( C(=O)C6CC6)c5c4)n3; Cc1c(cn(n1)c2ccnc(n2 )Nc3ccc4c(c3)c(cn4C)C(=O)C5CC5)CN6CC(C(C 6)OC)O |
cyclopropyl-[5-[[4-[4-[[(3~{S},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methyl-indol-3-yl]methanone |
| 13819 |  A1LV5 |
2 | C20 H26 Cl2 N10 | InChI=1S/C20H26Cl2N10/c21 -13-3-7-15(8-4-13)29-19(2 5)31-17(23)27-11-1-2-12-2 8-18(24)32-20(26)30-16-9- 5-14(22)6-10-16/h3-10H,1- 2,11-12H2,(H5,23,25,27,29 ,31)(H5,24,26,28,30,32); LOQFOZRLPPGNQV-UHFFFAOYSA-N |
c1cc(ccc1NC(=N)NC(=N)NCCCCNC(=N)NC(=N)Nc 2ccc(cc2)Cl)Cl; [H]/N=C(\N/C(=N/[H])/Nc1 ccc(cc1)Cl)/NCCCCN/C(=N/[H])/N/C(=N/[H]) /Nc2ccc(cc2)Cl; Clc1ccc(NC(=N)NC(=N)NCCC CNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 |
1-(4-chlorophenyl)-3-[~{N}-[4-[[~{N}-[~{N}-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]butyl]carbamimidoyl]guanidine |
| 13820 |  A1LV6 |
2 | C26 H30 N8 O3 | InChI=1S/C26H30N8O3/c1-15 -17(10-33-13-21(35)22(14- 33)37-3)11-34(31-15)23-6- 7-27-26(30-23)29-18-8-19- 20(24(36)16-4-5-16)12-32( 2)25(19)28-9-18/h6-9,11-1 2,16,21-22,35H,4-5,10,13- 14H2,1-3H3,(H,27,29,30)/t 21-,22+/m0/s1; XJLACMXDBBMNAD-FCHUYYIVSA-N |
Cc1c(cn(n1)c2ccnc(n2)Nc3cc4c(cn(c4nc3)C) C(=O)C5CC5)CN6C[C@@H]([C@@H](C6)OC)O; Cc 1c(cn(n1)c2ccnc(n2)Nc3cc4c(cn(c4nc3)C)C( =O)C5CC5)CN6CC(C(C6)OC)O; CO[CH]1CN(C[CH ]1O)Cc2cn(nc2C)c3ccnc(Nc4cnc5n(C)cc(C(=O )C6CC6)c5c4)n3; CO[C@@H]1CN(C[C@@H]1O)Cc 2cn(nc2C)c3ccnc(Nc4cnc5n(C)cc(C(=O)C6CC6 )c5c4)n3 |
cyclopropyl-[5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methanone |
| 13821 |  A1LV7 |
2 | C28 H32 F N7 O3 | InChI=1S/C28H32FN7O3/c1-1 7-19(12-34-15-24(37)25(16 -34)39-2)13-36(33-17)26-7 -9-30-28(32-26)31-20-5-6- 23-21(11-20)22(14-35(23)1 0-8-29)27(38)18-3-4-18/h5 -7,9,11,13-14,18,24-25,37 H,3-4,8,10,12,15-16H2,1-2 H3,(H,30,31,32)/t24-,25+/ m0/s1; BOEORZOOBBGDDF-LOSJGSFVSA-N |
CO[C@@H]1CN(C[C@@H]1O)Cc2cn(nc2C)c3ccnc( Nc4ccc5n(CCF)cc(C(=O)C6CC6)c5c4)n3; Cc1c (cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4CCF)C( =O)C5CC5)CN6CC(C(C6)OC)O; Cc1c(cn(n1)c2c cnc(n2)Nc3ccc4c(c3)c(cn4CCF)C(=O)C5CC5)C N6C[C@@H]([C@@H](C6)OC)O; CO[CH]1CN(C[CH ]1O)Cc2cn(nc2C)c3ccnc(Nc4ccc5n(CCF)cc(C( =O)C6CC6)c5c4)n3 |
cyclopropyl-[1-(2-fluoranylethyl)-5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone |
| 13822 |  A1LV8 |
1 | C24 H25 N5 O | InChI=1S/C24H25N5O/c1-3-1 7-5-8-23-27-24(17)21(4-1) 28-12-9-18(10-13-28)25-11 -2-14-30-19-6-7-20-22(15- 19)29(23)16-26-20/h1,3-8, 15-16,18,25H,2,9-14H2; NUEIFXSLMFVCPQ-UHFFFAOYSA-N |
c1cc2ccc-3nc2c(c1)N4CCC(CC4)NCCCOc5ccc6c (c5)n3cn6; C1CNC2CCN(CC2)c3cccc4ccc(nc34 )n5cnc6ccc(OC1)cc56 |
RH140 |
| 13823 |  A1LV9 |
1 | C16 H17 Cl O5 S | InChI=1S/C16H17ClO5S/c1-2 3(21,22)10-4-5-11(12(17)7 -10)16(20)13-14(18)8-2-3- 9(6-8)15(13)19/h4-5,7-9,1 3-14,18H,2-3,6H2,1H3/t8-, 9+,13+,14-/m0/s1; JOLMHOKSTKCQDK-DZLLMUEISA-N |
CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(C3CCC(C 3)C2=O)O; C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O )[CH]2[CH](O)[CH]3CC[CH](C3)C2=O; C[S](= O)(=O)c1ccc(c(Cl)c1)C(=O)[C@@H]2[C@@H](O )[C@H]3CC[C@H](C3)C2=O; CS(=O)(=O)c1ccc( c(c1)Cl)C(=O)[C@@H]2[C@H]([C@H]3CC[C@H]( C3)C2=O)O |
(1~{R},3~{R},4~{S},5~{S})-3-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4-oxidanyl-bicyclo[3.2.1]octan-2-one |
| 13824 |  A1LVA |
3 | C17 H19 Cl N2 O5 S2 | InChI=1S/C17H19ClN2O5S2/c 1-12-4-7-16(25-2)17(10-12 )27(23,24)19-13-5-6-14(18 )15(11-13)20-8-3-9-26(20, 21)22/h4-7,10-11,19H,3,8- 9H2,1-2H3; PNCFQLGARJZZFI-UHFFFAOYSA-N |
Cc1ccc(c(c1)S(=O)(=O)Nc2ccc(c(c2)N3CCCS3 (=O)=O)Cl)OC; COc1ccc(C)cc1[S](=O)(=O)Nc 2ccc(Cl)c(c2)N3CCC[S]3(=O)=O |
N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide |
| 13825 |  A1LVB |
1 | C24 H26 Cl F N2 O4 | InChI=1S/C24H26ClFN2O4/c1 -14-5-6-17(11-19(14)32-13 -24(3,4)12-27)21(15(2)23( 30)31)28-22(29)20(26)16-7 -9-18(25)10-8-16/h5-11,15 ,20-21H,13H2,1-4H3,(H,28, 29)(H,30,31); GXGNPULBKHMWLA-UHFFFAOYSA-N |
C[C@@H]([C@H](NC(=O)[C@@H](F)c1ccc(Cl)cc 1)c2ccc(C)c(OCC(C)(C)C#N)c2)C(O)=O; Cc1c cc(cc1OCC(C)(C)C#N)C(C(C)C(=O)O)NC(=O)C( c2ccc(cc2)Cl)F; C[CH]([CH](NC(=O)[CH](F) c1ccc(Cl)cc1)c2ccc(C)c(OCC(C)(C)C#N)c2)C (O)=O; Cc1ccc(cc1OCC(C)(C)C#N)[C@H]([C@@ H](C)C(=O)O)NC(=O)[C@H](c2ccc(cc2)Cl)F |
(2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid |
| 13826 |  A1LVC |
1 | C27 H29 F N2 O4 | InChI=1S/C27H29FN2O4/c1-4 -34-23-6-5-15-29-22(23)16 -19-9-13-20(14-10-19)24(2 8)26(31)30-25(18(3)27(32) 33)21-11-7-17(2)8-12-21/h 5-15,18,24-25H,4,16H2,1-3 H3,(H,30,31)(H,32,33); BFXQKBUFKIVUSI-UHFFFAOYSA-N |
CCOc1cccnc1Cc2ccc(cc2)[C@@H](C(=O)N[C@H] (c3ccc(cc3)C)[C@@H](C)C(=O)O)F; CCOc1ccc nc1Cc2ccc(cc2)[C@H](F)C(=O)N[C@@H]([C@H] (C)C(O)=O)c3ccc(C)cc3; CCOc1cccnc1Cc2ccc (cc2)[CH](F)C(=O)N[CH]([CH](C)C(O)=O)c3c cc(C)cc3; CCOc1cccnc1Cc2ccc(cc2)C(C(=O)N C(c3ccc(cc3)C)C(C)C(=O)O)F |
(2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid |
| 13827 |  A1LVI |
1 | C21 H18 N4 O2 | InChI=1S/C21H18N4O2/c22-2 1-18(4-3-11-24-21)19-13-1 7(25-27-19)12-15-6-8-16(9 -7-15)14-26-20-5-1-2-10-2 3-20/h1-11,13H,12,14H2,(H 2,22,24); WSEKTEUGRLFBSE-UHFFFAOYSA-N |
c1ccnc(c1)OCc2ccc(cc2)Cc3cc(on3)c4cccnc4 N; Nc1ncccc1c2onc(Cc3ccc(COc4ccccn4)cc3) c2 |
3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine |
| 13828 |  A1LVJ |
1 | C27 H24 F3 N7 O2 | InChI=1S/C27H24F3N7O2/c1- 15(19-4-3-5-20(23(19)28)2 5(29)30)33-26-21-14-37(36 -8-10-39-11-9-36)27(38)22 (24(21)34-16(2)35-26)17-6 -7-18(12-31)32-13-17/h3-7 ,13-15,25H,8-11H2,1-2H3,( H,33,34,35)/t15-/m1/s1; HRMKBFIINYRRDO-OAHLLOKOSA-N |
CC1=NC2=C(C(=O)N(C=C2C(=N1)NC(C)c3cccc(c 3F)C(F)F)N4CCOCC4)c5ccc(nc5)C#N; CC1=NC2 =C(C(=O)N(C=C2C(=N1)N[C@H](C)c3cccc(c3F) C(F)F)N4CCOCC4)c5ccc(nc5)C#N; C[C@@H](NC 1=NC(=NC2=C(C(=O)N(C=C12)N3CCOCC3)c4ccc( nc4)C#N)C)c5cccc(C(F)F)c5F; C[CH](NC1=NC (=NC2=C(C(=O)N(C=C12)N3CCOCC3)c4ccc(nc4) C#N)C)c5cccc(C(F)F)c5F |
5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile |
| 13829 |  A1LVL |
8 | C19 H15 Cl N4 O | InChI=1S/C19H15ClN4O/c1-2 3-10-22-17-18(23)13-7-6-1 2(20)9-15(13)24(19(17)25) 14-3-2-8-21-16(14)11-4-5- 11/h2-3,6-11H,4-5H2,1H3; FELOKFNJXFDCKP-UHFFFAOYSA-N |
Cn1cnc2C(=O)N(c3cccnc3C4CC4)c5cc(Cl)ccc5 c12; Cn1cnc2c1-c3ccc(cc3N(C2=O)c4cccnc4C 5CC5)Cl |
7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-1-methyl-imidazo[4,5-c]quinolin-4-one |
| 13830 |  A1LVO |
1 | C26 H23 F3 N2 O5 | InChI=1S/C26H23F3N2O5/c1- 14-17(24(35)23-19(32)4-3- 5-20(23)33)10-11-18-22(14 )25(36)31(13-21(34)30(18) 2)12-15-6-8-16(9-7-15)26( 27,28)29/h6-11,32H,3-5,12 -13H2,1-2H3; PJRNCTHLDJFKRG-UHFFFAOYSA-N |
CN1C(=O)CN(Cc2ccc(cc2)C(F)(F)F)C(=O)c3c( C)c(ccc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2 c1C(=O)N(CC(=O)N2C)Cc3ccc(cc3)C(F)(F)F)C (=O)C4=C(CCCC4=O)O |
1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione |
| 13831 |  A1LVP |
1 | C21 H22 N2 O5 | InChI=1S/C21H22N2O5/c1-4- 10-23-11-17(26)22(3)14-9- 8-13(12(2)18(14)21(23)28) 20(27)19-15(24)6-5-7-16(1 9)25/h4,8-9,24H,1,5-7,10- 11H2,2-3H3; NIWCIBOQMVCWFM-UHFFFAOYSA-N |
Cc1c(ccc2c1C(=O)N(CC(=O)N2C)CC=C)C(=O)C3 =C(CCCC3=O)O; CN1C(=O)CN(CC=C)C(=O)c2c(C )c(ccc12)C(=O)C3=C(O)CCCC3=O |
1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-prop-2-enyl-3~{H}-1,4-benzodiazepine-2,5-dione |
| 13832 |  A1LVQ |
3 | C34 H33 N7 O5 | InChI=1S/C34H33N7O5/c1-5- 30(42)36-24-13-11-22(12-1 4-24)15-16-40-32-23(21-41 (34(40)44)25-17-26(45-3)1 9-27(18-25)46-4)20-35-33( 39-32)38-29-10-8-7-9-28(2 9)37-31(43)6-2/h5-14,17-2 0H,1-2,15-16,21H2,3-4H3,( H,36,42)(H,37,43)(H,35,38 ,39); NOZQNRBLSPCZJQ-UHFFFAOYSA-N |
COc1cc(OC)cc(c1)N2Cc3cnc(Nc4ccccc4NC(=O) C=C)nc3N(CCc5ccc(NC(=O)C=C)cc5)C2=O; COc 1cc(cc(c1)OC)N2Cc3cnc(nc3N(C2=O)CCc4ccc( cc4)NC(=O)C=C)Nc5ccccc5NC(=O)C=C |
CXF007; ~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]propanamide |
| 13833 |  A1LVT |
2 | C26 H25 F3 N6 O2 | InChI=1S/C26H25F3N6O2/c1- 34-8-7-15-10-22(37-2)21(9 -17(15)13-34)32-25-31-12- 18-20(30)11-23(36)35(24(1 8)33-25)14-16-5-3-4-6-19( 16)26(27,28)29/h3-6,9-12H ,7-8,13-14,30H2,1-2H3,(H, 31,32,33); LQUUWQNDKXYUCK-UHFFFAOYSA-N |
COc1cc2CCN(C)Cc2cc1Nc3ncc4C(=CC(=O)N(Cc5 ccccc5C(F)(F)F)c4n3)N; CN1CCc2cc(c(cc2C1 )Nc3ncc4c(n3)N(C(=O)C=C4N)Cc5ccccc5C(F)( F)F)OC |
5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one |
| 13834 |  A1LVV |
0 | C48 H66 O22 | InChI=1S/C48H66O22/c1-18- 13-23-30(34(52)32-31(35(2 3)58-10)25(14-24(50)33(32 )51)65-26-16-44(7,55)39(2 0(3)62-26)64-22(5)49)36-2 9(18)37-41-47(60-12,68-36 )46(9,57)48(69-37,70-41)4 2(59-11)67-28-17-45(8,56) 40(21(4)63-28)66-27-15-43 (6,54)38(53)19(2)61-27/h1 3,19-21,24-28,37-42,50,52 -57H,14-17H2,1-12H3/t19-, 20-,21-,24-,25-,26-,27-,2 8-,37-,38+,39+,40+,41-,42 +,43+,44+,45+,46-,47+,48- /m0/s1; RGKSARUQAAZAFR-MNPLPZHASA-N |
CO[C@H](O[C@H]1C[C@@](C)(O)[C@H](O[C@H]2 C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@H](C)O 1)[C@]34O[C@@H]5[C@H](O3)[C@@](OC)(Oc6c5 c(C)cc7c(OC)c8[C@H](C[C@H](O)C(=O)c8c(O) c67)O[C@H]9C[C@@](C)(O)[C@H](OC(C)=O)[C@ H](C)O9)[C@]4(C)O; Cc1cc2c(c(c3c(c2OC)C( CC(C3=O)O)OC4CC(C(C(O4)C)OC(=O)C)(C)O)O) c5c1C6C7C(O5)(C(C(O6)(O7)C(OC)OC8CC(C(C( O8)C)OC9CC(C(C(O9)C)O)(C)O)(C)O)(C)O)OC; Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O )O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O) C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@]( [C@@](O6)(O7)[C@H](OC)O[C@H]8C[C@@]([C@@ H]([C@@H](O8)C)O[C@H]9C[C@@]([C@@H]([C@@ H](O9)C)O)(C)O)(C)O)(C)O)OC; CO[CH](O[CH ]1C[C](C)(O)[CH](O[CH]2C[C](C)(O)[CH](O) [CH](C)O2)[CH](C)O1)[C]34O[CH]5[CH](O3)[ C](OC)(Oc6c5c(C)cc7c(OC)c8[CH](C[CH](O)C (=O)c8c(O)c67)O[CH]9C[C](C)(O)[CH](OC(C) =O)[CH](C)O9)[C]4(C)O |
LL-D49194alpha1 |
| 13835 |  A1LVW |
1 | C23 H23 Cl2 N5 | InChI=1S/C23H23Cl2N5/c1-3 0(12-10-28-20-6-8-26-22-1 4-16(24)2-4-18(20)22)13-1 1-29-21-7-9-27-23-15-17(2 5)3-5-19(21)23/h2-9,14-15 H,10-13H2,1H3,(H,26,28)(H ,27,29); WDGQVCRQXSYPCW-UHFFFAOYSA-N |
CN(CCNc1ccnc2cc(Cl)ccc12)CCNc3ccnc4cc(Cl )ccc34; CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc3cc nc4c3ccc(c4)Cl |
Lys01; ~{N}-(7-chloranylquinolin-4-yl)-~{N}'-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]-~{N}'-methyl-ethane-1,2-diamine |
| 13836 |  A1LVX |
4 | C23 H22 F7 I N2 O4 S | InChI=1S/C23H22F7IN2O4S/c 1-12-10-13(21(24,22(25,26 )27)23(28,29)30)8-9-16(12 )32-18(34)14-6-5-7-15(31) 17(14)19(35)33-20(2,3)11- 38(4,36)37/h5-10H,11H2,1- 4H3,(H,32,34)(H,33,35); ZGNITFSDLCMLGI-UHFFFAOYSA-N |
Cc1cc(ccc1NC(=O)c2cccc(c2C(=O)NC(C)(C)CS (=O)(=O)C)I)C(C(F)(F)F)(C(F)(F)F)F; Cc1c c(ccc1NC(=O)c2cccc(I)c2C(=O)NC(C)(C)C[S] (C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F |
Flubendiamide; N1-[4-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-iodanyl-N2-(2-methyl-1-methylsulfonyl-propan-2-yl)benzene-1,2-dicarboxamide |
| 13837 |  A1LVZ |
2 | C12 H16 F I N3 O12 P3 | InChI=1S/C12H16FIN3O12P3/ c1-5-8-6(14)2-17(11(8)16- 4-15-5)12-9(13)10(18)7(27 -12)3-26-31(22,23)29-32(2 4,25)28-30(19,20)21/h2,4, 7,9-10,12,18H,3H2,1H3,(H, 22,23)(H,24,25)(H2,19,20, 21)/t7-,9+,10-,12-/m1/s1; SDPCZQPAUGWGIT-DLYFRVTGSA-N |
Cc1c2c(cn(c2ncn1)[C@H]3[C@H]([C@@H]([C@H ](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)I ; Cc1ncnc2n(cc(I)c12)[CH]3O[CH](CO[P](O) (=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3 F; Cc1ncnc2n(cc(I)c12)[C@@H]3O[C@H](CO[P ](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O )[C@@H]3F; Cc1c2c(cn(c2ncn1)C3C(C(C(O3)C OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)I |
[[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 13838 |  A1LW0 |
19 | C7 H14 N4 O3 | InChI=1S/C7H14N4O3/c1-8-7 (10-11(12)13)9-4-6-2-3-14 -5-6/h6H,2-5H2,1H3,(H2,8, 9,10)/t6-/m0/s1; YKBZOVFACRVRJN-LURJTMIESA-N |
CN\C(NC[C@@H]1CCOC1)=N/[N+]([O-])=O; CNC (=N[N+](=O)[O-])NCC1CCOC1; CN/C(=N\[N+]( =O)[O-])/NC[C@@H]1CCOC1; CNC(NC[CH]1CCOC 1)=N[N+]([O-])=O |
2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine; dinotefuran |
| 13839 |  A1LW3 |
2 | C14 H16 N4 O4 S | InChI=1S/C14H16N4O4S/c1-4 -18-12-7-9(5-6-11(12)17(3 )23(18,21)22)13(19)10-8-1 5-16(2)14(10)20/h5-8,20H, 4H2,1-3H3; RFXPRTZJOLHGIJ-UHFFFAOYSA-N |
CCN1c2cc(ccc2N(C)[S]1(=O)=O)C(=O)c3cnn(C )c3O; CCN1c2cc(ccc2N(S1(=O)=O)C)C(=O)c3c nn(c3O)C |
[3-ethyl-1-methyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone |
| 13840 |  A1LW4 |
1 | C14 H13 F4 N3 O3 S | InChI=1S/C14H13F4N3O3S/c1 -3-6-25(23)11-9(14(16,17) 18)5-4-8(10(11)15)12(22)1 9-13-21-20-7(2)24-13/h4-5 H,3,6H2,1-2H3,(H,19,21,22 ); PWQIRGHRDYHXJS-UHFFFAOYSA-N |
CCCS(=O)c1c(ccc(c1F)C(=O)Nc2nnc(o2)C)C(F )(F)F; CCC[S@@](=O)c1c(F)c(ccc1C(F)(F)F) C(=O)Nc2oc(C)nn2; CCC[S](=O)c1c(F)c(ccc1 C(F)(F)F)C(=O)Nc2oc(C)nn2 |
2-fluoranyl-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-propylsulfinyl-4-(trifluoromethyl)benzamide |
| 13841 |  A1LW5 |
1 | C18 H17 Cl N2 O3 | InChI=1S/C18H17ClN2O3/c1- 2-21-8-12(19)13-11(5-6-20 -18(13)21)17(24)14-15(22) 9-3-4-10(7-9)16(14)23/h5- 6,8-10,22H,2-4,7H2,1H3/t9 -,10+/m1/s1; KMKACZIOFPMKQH-ZJUUUORDSA-N |
CCn1cc(c2c1nccc2C(=O)C3=C([C@@H]4CC[C@@H ](C4)C3=O)O)Cl; CCn1cc(Cl)c2c(ccnc12)C(= O)C3=C(O)[CH]4CC[CH](C4)C3=O; CCn1cc(c2c 1nccc2C(=O)C3=C(C4CCC(C4)C3=O)O)Cl; CCn1 cc(Cl)c2c(ccnc12)C(=O)C3=C(O)[C@@H]4CC[C @@H](C4)C3=O |
(1~{S},5~{R})-3-(3-chloranyl-1-ethyl-pyrrolo[2,3-b]pyridin-4-yl)carbonyl-4-oxidanyl-bicyclo[3.2.1]oct-3-en-2-one |
| 13842 |  A1LW6 |
1 | C22 H16 Cl N3 O7 | InChI=1S/C22H16ClN3O7/c1- 24-15-9-13(20(29)19-17(27 )3-2-4-18(19)28)16(26(32) 33)10-14(15)21(30)25(22(2 4)31)12-7-5-11(23)6-8-12/ h5-10,27H,2-4H2,1H3; ZORAUUJNIZHGRH-UHFFFAOYSA-N |
CN1C(=O)N(C(=O)c2cc(c(cc12)C(=O)C3=C(O)C CCC3=O)[N+]([O-])=O)c4ccc(Cl)cc4; CN1c2c c(c(cc2C(=O)N(C1=O)c3ccc(cc3)Cl)[N+](=O) [O-])C(=O)C4=C(CCCC4=O)O |
3-(4-chlorophenyl)-1-methyl-6-nitro-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione |
| 13843 |  A1LW7 |
1 | C18 H14 F3 N3 O7 | InChI=1S/C18H14F3N3O7/c1- 22-10-5-8(15(27)14-12(25) 3-2-4-13(14)26)11(24(30)3 1)6-9(10)16(28)23(17(22)2 9)7-18(19,20)21/h5-6,25H, 2-4,7H2,1H3; ZFGHZLLDLQYOBM-UHFFFAOYSA-N |
CN1c2cc(c(cc2C(=O)N(C1=O)CC(F)(F)F)[N+]( =O)[O-])C(=O)C3=C(CCCC3=O)O; CN1C(=O)N(C C(F)(F)F)C(=O)c2cc(c(cc12)C(=O)C3=C(O)CC CC3=O)[N+]([O-])=O |
1-methyl-6-nitro-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[2,2,2-tris(fluoranyl)ethyl]quinazoline-2,4-dione |
| 13844 |  A1LW8 |
0 | C34 H56 O8 | InChI=1S/C34H56O8/c1-18(1 7-40-31-30(39)29(38)28(37 )26(16-35)42-31)6-7-24-19 (2)27-25(41-24)14-23-21-9 -11-32(3)15-20(36)8-13-34 (32,5)22(21)10-12-33(23,2 7)4/h18,20-23,25-31,35-39 H,6-17H2,1-5H3/t18-,20-,2 1-,22-,23+,25-,26+,27-,28 +,29-,30+,31+,32+,33-,34+ /m0/s1; ULNDCEKFZLEEGC-TWIDTKOTSA-N |
CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@@H] ([C@H]3C2)CC[C@]5([C@@]4(CC[C@@H](C5)O)C )C)C)CC[C@H](C)CO[C@H]6[C@@H]([C@H]([C@@ H]([C@H](O6)CO)O)O)O; CC1=C(OC2C1C3(CCC4 C(C3C2)CCC5(C4(CCC(C5)O)C)C)C)CCC(C)COC6 C(C(C(C(O6)CO)O)O)O; C[C@@H](CCC1=C(C)[C @H]2[C@H](C[C@@H]3[C@H]4CC[C@]5(C)C[C@@H ](O)CC[C@]5(C)[C@H]4CC[C@]23C)O1)CO[C@@H ]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O; C[ CH](CCC1=C(C)[CH]2[CH](C[CH]3[CH]4CC[C]5 (C)C[CH](O)CC[C]5(C)[CH]4CC[C]23C)O1)CO[ CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O |
(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{S})-2-methyl-4-[(1~{R},2~{R},4~{S},6~{S},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S},18~{R})-7,9,13,18-tetramethyl-16-oxidanyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-yl]butoxy]oxane-3,4,5-triol |
| 13845 |  A1LW9 |
2 | C25 H24 N6 O2 S | InChI=1S/C25H24N6O2S/c1-4 -20(32)29-17-7-5-15(6-8-1 7)12-31-25-21(24(26)27-13 -28-25)22(30-31)19-11-16- 9-14(2)10-18(33-3)23(16)3 4-19/h5-11,13H,4,12H2,1-3 H3,(H,29,32)(H2,26,27,28); ZOBPPKHZWZENPR-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(Cn2nc(c3sc4c(OC)cc(C)cc4c3 )c5c(N)ncnc25)cc1; CCC(=O)Nc1ccc(cc1)Cn2 c3c(c(n2)c4cc5cc(cc(c5s4)OC)C)c(ncn3)N |
~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide |
| 13846 |  A1LWA |
1 | C21 H21 Cl2 N O4 | InChI=1S/C21H21Cl2NO4/c1- 3-24-12(2)16(19(26)21(24) 27)18(25)14-9-10-15(22)20 (17(14)23)28-11-13-7-5-4- 6-8-13/h4-10,12,16,19,26H ,3,11H2,1-2H3/t12-,16-,19 -/m1/s1; OFNHTQNNTWKNME-SMNXXWJPSA-N |
CCN1C(C(C(C1=O)O)C(=O)c2ccc(c(c2Cl)OCc3c cccc3)Cl)C; CCN1[C@H](C)[C@@H]([C@@H](O) C1=O)C(=O)c2ccc(Cl)c(OCc3ccccc3)c2Cl; CC N1[CH](C)[CH]([CH](O)C1=O)C(=O)c2ccc(Cl) c(OCc3ccccc3)c2Cl; CCN1[C@@H]([C@@H]([C@ H](C1=O)O)C(=O)c2ccc(c(c2Cl)OCc3ccccc3)C l)C |
(3~{R},4~{S},5~{R})-4-[2,4-bis(chloranyl)-3-phenylmethoxy-phenyl]carbonyl-1-ethyl-5-methyl-3-oxidanyl-pyrrolidin-2-one |
| 13847 |  A1LWB |
6 | C24 H32 O4 | InChI=1S/C24H32O4/c1-15(2 )8-6-9-16(3)10-7-11-17(4) 12-13-19-22(25)18(5)20-14 -28-24(27)21(20)23(19)26/ h8,10,12,25-26H,6-7,9,11, 13-14H2,1-5H3; HKULYCOWDDIJCV-UHFFFAOYSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC( =O)c2c1O; Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C) CCC=C(C)C)O)C(=O)OC2; CC(C)=CCC/C(C)=C/C C/C(C)=C/Cc1c(O)c(C)c2COC(=O)c2c1O; Cc1c 2c(c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C) C)O)C(=O)OC2 |
4-farnesyl-3,5-dihydroxy-6-methylphthalide; 4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one |
| 13848 |  A1LWC |
1 | C21 H26 O6 | InChI=1S/C21H26O6/c1-12(5 -4-6-13(2)8-10-17(22)23)7 -9-15-19(24)14(3)16-11-27 -21(26)18(16)20(15)25/h6- 7,24-25H,4-5,8-11H2,1-3H3 ,(H,22,23); LFMVGCLSSWANEO-UHFFFAOYSA-N |
Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C)CCC(=O)O)O )C(=O)OC2; CC(CCC=C(C)CCC(O)=O)=CCc1c(O) c(C)c2COC(=O)c2c1O; C/C(CC\C=C(/C)CCC(O) =O)=C/Cc1c(O)c(C)c2COC(=O)c2c1O; Cc1c2c( c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC(=O)O)O) C(=O)OC2 |
4-farnesyl-3,5-dihydroxy-6-methylphthalide-3C; (4~{E},8~{E})-4,8-dimethyl-10-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]deca-4,8-dienoic acid |
| 13849 |  A1LWD |
6 | C16 H18 O6 | InChI=1S/C16H18O6/c1-8(4- 6-12(17)18)3-5-10-14(19)9 (2)11-7-22-16(21)13(11)15 (10)20/h3,19-20H,4-7H2,1- 2H3,(H,17,18); MHSRNZSBNXFMLF-UHFFFAOYSA-N |
CC(CCC(O)=O)=CCc1c(O)c(C)c2COC(=O)c2c1O; CC(/CCC(O)=O)=C/Cc1c(O)c(C)c2COC(=O)c2c 1O; Cc1c2c(c(c(c1O)CC=C(C)CCC(=O)O)O)C(= O)OC2; Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)O )O)C(=O)OC2 |
O-desmethyl mycophenolic acid; (~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid |
| 13850 |  A1LWE |
2 | C11 H18 N5 O14 P3 | InChI=1S/C11H18N5O14P3/c1 -26-7-6(17)4(2-27-32(22,2 3)30-33(24,25)29-31(19,20 )21)28-10(7)16-3-13-5-8(1 6)14-11(12)15-9(5)18/h3-4 ,6-7,10,17H,2H2,1H3,(H,22 ,23)(H,24,25)(H2,19,20,21 )(H3,12,14,15,18)/t4-,6-, 7-,10-/m1/s1; GMUJBFZJAFFHIW-KQYNXXCUSA-N |
CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C (NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O ; COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O) (O)OP(=O)(O)OP(=O)(O)O)O; CO[CH]1[CH](O) [CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O )O[CH]1n2cnc3C(=O)NC(=Nc23)N; CO[C@@H]1[ C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P ](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N |
[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 13851 |  A1LWG |
6 | C13 H16 N2 O2 | InChI=1S/C13H16N2O2/c1-9( 13(16)17)14-7-6-10-8-15-1 2-5-3-2-4-11(10)12/h2-5,8 -9,14-15H,6-7H2,1H3,(H,16 ,17); BGXZBALMOFWVRC-UHFFFAOYSA-N |
C[CH](NCCc1c[nH]c2ccccc12)C(O)=O; C[C@H] (C(=O)O)NCCc1c[nH]c2c1cccc2; CC(C(=O)O)N CCc1c[nH]c2c1cccc2; C[C@@H](NCCc1c[nH]c2 ccccc12)C(O)=O |
(2~{R})-2-[2-(1~{H}-indol-3-yl)ethylamino]propanoic acid |
| 13852 |  A1LWH |
1 | C17 H18 O2 | InChI=1S/C17H18O2/c1-12(2 )17-15(18)10-14(11-16(17) 19)9-8-13-6-4-3-5-7-13/h3 -12,18-19H,1-2H3/b9-8+; ZISJNXNHJRQYJO-CMDGGOBGSA-N |
CC(C)c1c(cc(cc1O)/C=C/c2ccccc2)O; CC(C)c 1c(O)cc(/C=C/c2ccccc2)cc1O; CC(C)c1c(cc( cc1O)C=Cc2ccccc2)O; CC(C)c1c(O)cc(C=Cc2c cccc2)cc1O |
5-[(E)-2-phenylethenyl]-2-propan-2-yl-benzene-1,3-diol |
| 13853 |  A1LWI |
1 | C19 H12 N2 O | InChI=1S/C19H12N2O/c22-10 -14-18-12-6-2-4-8-16(12)2 0-17(18)9-13-11-5-1-3-7-1 5(11)21-19(13)14/h1-10,20 -21H; ZUDXFBWDXVNRKF-UHFFFAOYSA-N |
c1ccc2c(c1)c3cc4c(c5ccccc5[nH]4)c(c3[nH] 2)C=O; O=Cc1c2[nH]c3ccccc3c2cc4[nH]c5ccc cc5c14 |
5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde |
| 13854 |  A1LWJ |
1 | C19 H14 O2 | InChI=1S/C19H14O2/c20-16- 12-18(14-7-2-1-3-8-14)21- 17-11-10-13-6-4-5-9-15(13 )19(16)17/h1-11,18H,12H2/ t18-/m1/s1; XTWSWGKXWMYSLP-GOSISDBHSA-N |
O=C1C[CH](Oc2ccc3ccccc3c12)c4ccccc4; O=C 1C[C@@H](Oc2ccc3ccccc3c12)c4ccccc4; c1cc c(cc1)[C@H]2CC(=O)c3c4ccccc4ccc3O2; c1cc c(cc1)C2CC(=O)c3c4ccccc4ccc3O2 |
(3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one |
| 13855 |  A1LWK |
1 | C16 H10 N2 O2 | InChI=1S/C16H10N2O2/c19-1 5-9-5-1-3-7-11(9)17-13(15 )14-16(20)10-6-2-4-8-12(1 0)18-14/h1-8,17,19H; QQILFGKZUJYXGS-UHFFFAOYSA-N |
Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O; c1c cc2c(c1)c(c([nH]2)C3=Nc4ccccc4C3=O)O |
2-(3-oxidanyl-1H-indol-2-yl)indol-3-one |
| 13856 |  A1LWL |
2 | C17 H25 N O | InChI=1S/C17H25NO/c19-17- 9-5-4-8-16(17)18-12-10-15 (11-13-18)14-6-2-1-3-7-14 /h1-3,6-7,15-17,19H,4-5,8 -13H2/t16-,17-/m0/s1; YSSBJODGIYRAMI-IRXDYDNUSA-N |
O[CH]1CCCC[CH]1N2CCC(CC2)c3ccccc3; O[C@H ]1CCCC[C@@H]1N2CCC(CC2)c3ccccc3; c1ccc(c c1)C2CCN(CC2)C3CCCCC3O; c1ccc(cc1)C2CCN( CC2)[C@H]3CCCC[C@@H]3O |
vesamicol; (1~{S},2~{S})-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol; 2-(4-Phenylpiperidino)cyclohexanol |
| 13857 |  A1LWM |
3 | C29 H43 N O4 | InChI=1S/C29H43NO4/c1-7-2 2(8-2)15-14-16-23(9-3)19- 20(5)26(31)25(10-4)28(32) 30-21(6)27(34-29(30)33)24 -17-12-11-13-18-24/h7,11- 13,16-18,20-21,25-27,31H, 8-10,14-15,19H2,1-6H3/b22 -7+,23-16+/t20-,21?,25?,2 6?,27?/m0/s1; GIEHXLSOYWFSMM-FYYHNBHTSA-N |
CCC(C(C(C)CC(=CCCC(=CC)CC)CC)O)C(=O)N1C( C(OC1=O)c2ccccc2)C; CCC(C(O)[CH](C)CC(CC )=CCCC(CC)=CC)C(=O)N1C(C)C(OC1=O)c2ccccc 2; CCC(C(O)[C@@H](C)C\C(CC)=C\CC/C(CC)=C /C)C(=O)N1C(C)C(OC1=O)c2ccccc2; CC[C@H]( [C@H]([C@@H](C)C/C(=C/CC/C(=C/C)/CC)/CC) O)C(=O)N1C(C(OC1=O)c2ccccc2)C |
(4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one |
| 13858 |  A1LWO |
2 | C32 H27 F3 N6 O2 | InChI=1S/C32H27F3N6O2/c1- 20-12-21(10-11-37-20)28-1 4-29(32(33,34)35)39-41(28 )23-6-8-24(9-7-23)43-15-2 2-13-26(25-4-2-3-5-27(25) 38-22)30(42)40-18-31(19-4 0)16-36-17-31/h2-14,36H,1 5-19H2,1H3; IFBZQSRPXWNBLJ-UHFFFAOYSA-N |
Cc1cc(ccn1)c2cc(nn2c3ccc(cc3)OCc4cc(c5cc ccc5n4)C(=O)N6CC7(C6)CNC7)C(F)(F)F; Cc1c c(ccn1)c2cc(nn2c3ccc(OCc4cc(C(=O)N5CC6(C NC6)C5)c7ccccc7n4)cc3)C(F)(F)F |
2,6-diazaspiro[3.3]heptan-2-yl-[2-[[4-[5-(2-methylpyridin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]methyl]quinolin-4-yl]methanone |
| 13859 |  A1LWP |
1 | C20 H21 N O4 S | InChI=1S/C20H21NO4S/c1-12 (2)8-9-21-14-10-13(6-7-17 (14)26-11-18(21)24)20(25) 19-15(22)4-3-5-16(19)23/h 6-8,10,22H,3-5,9,11H2,1-2 H3; HUDLPHGXXZAIFM-UHFFFAOYSA-N |
CC(=CCN1c2cc(ccc2SCC1=O)C(=O)C3=C(CCCC3= O)O)C; CC(C)=CCN1C(=O)CSc2ccc(cc12)C(=O) C3=C(O)CCCC3=O |
4-(3-methylbut-2-enyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-1,4-benzothiazin-3-one |
| 13860 |  A1LWQ |
1 | C9 H9 N O3 | InChI=1S/C9H9NO3/c10-7-3- 1-6(2-4-7)5-8(11)9(12)13/ h1-4H,5,10H2,(H,12,13); HWDZIRSKXFAMFU-UHFFFAOYSA-N |
c1cc(ccc1CC(=O)C(=O)O)N; Nc1ccc(CC(=O)C( O)=O)cc1 |
3-(4-aminophenyl)-2-oxidanylidene-propanoic acid |
| 13861 |  A1LWR |
1 | C23 H21 N3 O6 | InChI=1S/C23H21N3O6/c1-13 -15(22(29)20-18(27)8-5-9- 19(20)28)10-11-17-21(13)2 5(23(30)24(17)2)12-14-6-3 -4-7-16(14)26(31)32/h3-4, 6-7,10-11,27H,5,8-9,12H2, 1-2H3; DRLROISZNNCBFZ-UHFFFAOYSA-N |
CN1C(=O)N(Cc2ccccc2[N+]([O-])=O)c3c(C)c( ccc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2c1N( C(=O)N2C)Cc3ccccc3[N+](=O)[O-])C(=O)C4=C (CCCC4=O)O |
1,4-dimethyl-3-[(2-nitrophenyl)methyl]-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one |
| 13862 |  A1LWS |
1 | C26 H32 N8 O2 | InChI=1S/C26H32N8O2/c1-15 -13-34(14-16(2)36-15)18-7 -5-6-17(10-18)30-25-23-20 (12-29-33-26(23)35)19(11- 27)24(32-25)31-22-9-4-3-8 -21(22)28/h5-7,10,12,15-1 6,21-22H,3-4,8-9,13-14,28 H2,1-2H3,(H,33,35)(H2,30, 31,32)/t15-,16+,21-,22+/m 0/s1; KGWLGIOZFOBIIA-VYXDICFBSA-N |
C[CH]1CN(C[CH](C)O1)c2cccc(Nc3nc(N[CH]4C CCC[CH]4N)c(C#N)c5C=NNC(=O)c35)c2; CC1CN (CC(O1)C)c2cccc(c2)Nc3c4c(c(c(n3)NC5CCCC C5N)C#N)C=NNC4=O; C[C@@H]1CN(C[C@@H](O1) C)c2cccc(c2)Nc3c4c(c(c(n3)N[C@@H]5CCCC[C @@H]5N)C#N)C=NNC4=O; C[C@@H]1CN(C[C@H](C )O1)c2cccc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)c( C#N)c5C=NNC(=O)c35)c2 |
7-[[(1R,2S)-2-azanylcyclohexyl]amino]-5-[[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]amino]-4-oxidanylidene-3H-pyrido[3,4-d]pyridazine-8-carbonitrile |
| 13863 |  A1LWU |
2 | C26 H23 N3 O5 | InChI=1S/C26H23N3O5/c1-15 -18(25(33)24-20(30)4-3-5- 21(24)31)10-11-19-23(15)2 6(34)29(14-22(32)28(19)2) 13-17-8-6-16(12-27)7-9-17 /h6-11,30H,3-5,13-14H2,1- 2H3; UFOLPYYCKLLBGZ-UHFFFAOYSA-N |
CN1C(=O)CN(Cc2ccc(cc2)C#N)C(=O)c3c(C)c(c cc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2c1C(= O)N(CC(=O)N2C)Cc3ccc(cc3)C#N)C(=O)C4=C(C CCC4=O)O |
4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile |
| 13864 |  A1LWV |
0 | C11 H20 N2 O4 | InChI=1S/C11H20N2O4/c12-9 (11(16)17)5-1-3-7-13-10(1 5)6-2-4-8-14/h8-9H,1-7,12 H2,(H,13,15)(H,16,17)/t9- /m0/s1; IUBWATAYLBDTRN-VIFPVBQESA-N |
C(CCNC(=O)CCCC=O)C[C@@H](C(=O)O)N; N[CH] (CCCCNC(=O)CCCC=O)C(O)=O; C(CCNC(=O)CCCC =O)CC(C(=O)O)N; N[C@@H](CCCCNC(=O)CCCC=O )C(O)=O |
(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)hexanoic acid |
| 13865 |  A1LWW |
2 | C24 H19 F2 N7 O2 | InChI=1S/C24H19F2N7O2/c1- 3-19(34)31-14-6-4-5-13(9- 14)11-33-23(27)20(24(28)3 5)17(32-33)8-7-15-16(25)1 0-18-22(21(15)26)30-12(2) 29-18/h3-6,9-10H,1,11,27H 2,2H3,(H2,28,35)(H,29,30) (H,31,34); GKKSEORWFYILJW-UHFFFAOYSA-N |
Cc1[nH]c2c(n1)cc(c(c2F)C#Cc3c(c(n(n3)Cc4 cccc(c4)NC(=O)C=C)N)C(=O)N)F; Cc1[nH]c2c (F)c(C#Cc3nn(Cc4cccc(NC(=O)C=C)c4)c(N)c3 C(N)=O)c(F)cc2n1 |
5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide |
| 13866 |  A1LWZ |
8 | C22 H25 F4 N3 O | InChI=1S/C22H25F4N3O/c23- 20-17(28-13-15-5-8-16(9-6 -15)22(24,25)26)10-11-18( 21(20)27)29-19(30)12-7-14 -3-1-2-4-14/h5-6,8-11,14, 28H,1-4,7,12-13,27H2,(H,2 9,30); WVYBWENXAUJICT-UHFFFAOYSA-N |
c1cc(ccc1CNc2ccc(c(c2F)N)NC(=O)CCC3CCCC3 )C(F)(F)F; Nc1c(F)c(NCc2ccc(cc2)C(F)(F)F )ccc1NC(=O)CCC3CCCC3 |
~{N}-[2-azanyl-3-fluoranyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-3-cyclopentyl-propanamide |
| 13867 |  A1LX0 |
6 | C17 H27 N4 O8 P2 S | InChI=1S/C17H26N4O8P2S/c1 -10-14(6-7-28-31(26,27)29 -30(23,24)25)32-17(15(22) 12-4-3-5-12)21(10)9-13-8- 19-11(2)20-16(13)18/h8,12 ,15,22H,3-7,9H2,1-2H3,(H4 -,18,19,20,23,24,25,26,27 )/p+1/t15-/m1/s1; FVAVQECWBZFMTG-OAHLLOKOSA-O |
Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)( O)=O)sc2[CH](O)C3CCC3)c(N)n1; Cc1c(sc([n +]1Cc2cnc(nc2N)C)C(C3CCC3)O)CCOP(=O)(O)O P(=O)(O)O; Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C @@H](C3CCC3)O)CCOP(=O)(O)OP(=O)(O)O; Cc1 ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)= O)sc2[C@H](O)C3CCC3)c(N)n1 |
2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(~{R})-cyclobutyl(oxidanyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
| 13868 |  A1LX1 |
1 | C18 H14 F3 N5 O2 | InChI=1S/C18H14F3N5O2/c19 -18(20,21)12-4-6-14(7-5-1 2)26-17(28)25(16(27)15(11 -22)24-26)10-8-13-3-1-2-9 -23-13/h1-7,9,11,22H,8,10 H2/b22-11-; YEBJSFQNRVLLRG-JJFYIABZSA-N |
c1ccnc(c1)CCN2C(=O)C(=NN(C2=O)c3ccc(cc3) C(F)(F)F)C=N; FC(F)(F)c1ccc(cc1)N2N=C(C= N)C(=O)N(CCc3ccccn3)C2=O; [H]/N=C\C1=NN( C(=O)N(C1=O)CCc2ccccn2)c3ccc(cc3)C(F)(F) F |
6-(iminomethyl)-4-(2-pyridin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione |
| 13869 |  A1LX2 |
1 | C18 H11 F4 N5 O3 | InChI=1S/C18H11F4N5O3/c19 -12-7-10(4-5-11(12)18(20, 21)22)27-17(30)26(16(29)1 4(8-23)25-27)9-15(28)13-3 -1-2-6-24-13/h1-8,23H,9H2 /b23-8-; BYGLKGASANHTOA-NYAPKIOYSA-N |
[H]/N=C\C1=NN(C(=O)N(C1=O)CC(=O)c2ccccn2 )c3ccc(c(c3)F)C(F)(F)F; Fc1cc(ccc1C(F)(F )F)N2N=C(C=N)C(=O)N(CC(=O)c3ccccn3)C2=O; c1ccnc(c1)C(=O)CN2C(=O)C(=NN(C2=O)c3ccc (c(c3)F)C(F)(F)F)C=N |
2-(3-fluoro-4-(trifluoromethyl)phenyl)-6-(iminomethyl)-4-(2-oxo-2-(pyridin-2-yl)ethyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| 13870 |  A1LX3 |
2 | C20 H23 N | InChI=1S/C20H23N/c1-21-14 -6-12-20-13-11-15(16-7-2- 4-9-18(16)20)17-8-3-5-10- 19(17)20/h2-5,7-10,15,21H ,6,11-14H2,1H3/t15-,20+; QSLMDECMDJKHMQ-GSXCWMCISA-N |
CNCCCC12CCC(c3c1cccc3)c4c2cccc4; CNCCC[C ]12CC[CH](c3ccccc13)c4ccccc24; CNCCC[C@@ ]12CC[C@@H](c3ccccc13)c4ccccc24 |
~{N}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine; Maprotiline |
| 13871 |  A1LX4 |
4 | C17 H21 N O | InChI=1S/C17H21NO/c1-14-8 -6-7-11-16(14)19-17(12-13 -18-2)15-9-4-3-5-10-15/h3 -11,17-18H,12-13H2,1-2H3/ t17-/m1/s1; VHGCDTVCOLNTBX-QGZVFWFLSA-N |
CNCC[CH](Oc1ccccc1C)c2ccccc2; CNCC[C@@H] (Oc1ccccc1C)c2ccccc2; Cc1ccccc1O[C@H](CC NC)c2ccccc2; Cc1ccccc1OC(CCNC)c2ccccc2 |
(3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine; Atomoxetine |
| 13872 |  A1LX5 |
2 | C16 H18 N2 | InChI=1S/C16H18N2/c1-18-1 0-14(12-6-3-2-4-7-12)13-8 -5-9-16(17)15(13)11-18/h2 -9,14H,10-11,17H2,1H3/t14 -/m0/s1; XXPANQJNYNUNES-AWEZNQCLSA-N |
CN1C[CH](c2ccccc2)c3cccc(N)c3C1; CN1C[C@ @H](c2ccccc2)c3cccc(N)c3C1; CN1Cc2c(cccc 2N)C(C1)c3ccccc3; CN1Cc2c(cccc2N)[C@@H]( C1)c3ccccc3 |
(4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine; Nomifensine |
| 13873 |  A1LX6 |
1 | C17 H19 N O | InChI=1S/C17H19NO/c1-18-1 1-12-19-17(14-7-3-2-4-8-1 4)16-10-6-5-9-15(16)13-18 /h2-10,17H,11-13H2,1H3/t1 7-/m0/s1; RGPDEAGGEXEMMM-KRWDZBQOSA-N |
CN1CCOC(c2ccccc2C1)c3ccccc3; CN1CCO[CH]( c2ccccc2)c3ccccc3C1; CN1CCO[C@@H](c2cccc c2)c3ccccc3C1; CN1CCO[C@H](c2ccccc2C1)c3 ccccc3 |
(1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine; Nefopam |
| 13874 |  A1LX7 |
4 | C25 H47 O13 P | InChI=1S/C25H47O13P/c1-3- 5-7-9-11-13-18(26)35-15-1 7(37-19(27)14-12-10-8-6-4 -2)16-36-39(33,34)38-25-2 3(31)21(29)20(28)22(30)24 (25)32/h17,20-25,28-32H,3 -16H2,1-2H3,(H,33,34)/t17 -,20-,21-,22+,23-,24-,25- /m1/s1; UPUKKDCTWWVPCJ-OZRWLNDDSA-N |
CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O )O)O)O)O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C @H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O) [C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH ](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CC CCCCC; CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1 [C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC( =O)CCCCCCC |
[(2R)-2-octanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate |
| 13875 |  A1LXA |
2 | C6 H10 O5 | InChI=1S/C6H10O5/c1-3-4(7 )2-6(10,11-3)5(8)9/h3-4,7 ,10H,2H2,1H3,(H,8,9)/t3-, 4-,6-/m0/s1; YHDMJIUDFRWPAD-FKZODXBYSA-N |
C[C@H]1[C@H](C[C@](O1)(C(=O)O)O)O; C[CH] 1O[C](O)(C[CH]1O)C(O)=O; C[C@@H]1O[C@@]( O)(C[C@@H]1O)C(O)=O; CC1C(CC(O1)(C(=O)O) O)O |
L-2-keto-3-deoxyfuconate; (2~{S},4~{S},5~{S})-5-methyl-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
| 13876 |  A1LXB |
2 | C6 H8 O5 | InChI=1S/C6H8O5/c1-3-4(7) 2-6(10,11-3)5(8)9/h3,10H, 2H2,1H3,(H,8,9)/t3-,6-/m0 /s1; RVGZVGXMALCWOM-DZSWIPIPSA-N |
C[C@H]1C(=O)C[C@](O1)(C(=O)O)O; CC1C(=O) CC(O1)(C(=O)O)O; C[CH]1O[C](O)(CC1=O)C(O )=O; C[C@@H]1O[C@@](O)(CC1=O)C(O)=O |
L-2,4-diketo-3-deoxyfuconate; (2~{S},5~{S})-5-methyl-2-oxidanyl-4-oxidanylidene-oxolane-2-carboxylic acid |
| 13877 |  A1LXD |
3 | C5 H8 O5 | InChI=1S/C5H8O5/c6-3-1-5( 9,4(7)8)10-2-3/h3,6,9H,1- 2H2,(H,7,8)/t3-,5-/m0/s1; DONPUMGGARYEMQ-UCORVYFPSA-N |
O[C@@H]1CO[C@@](O)(C1)C(O)=O; C1C(COC1(C (=O)O)O)O; C1[C@@H](CO[C@@]1(C(=O)O)O)O; O[CH]1CO[C](O)(C1)C(O)=O |
D-2-keto-3-deoxypentonate; (2~{S},4~{S})-2,4-bis(oxidanyl)oxolane-2-carboxylic acid |
| 13878 |  A1LXF |
8 | C11 H11 B F O5 | InChI=1S/C11H11BFO5/c1-6( 11(14)15)5-9-10-7(12(16,1 7)18-9)3-2-4-8(10)13/h2-4 ,9,16-17H,1,5H2,(H,14,15) /q-1/t9-/m1/s1; CCVJYJDJQZZSRS-SECBINFHSA-N |
OC(=O)C(=C)C[CH]1O[B-](O)(O)c2cccc(F)c12 ; [B-]1(c2cccc(c2C(O1)CC(=C)C(=O)O)F)(O) O; OC(=O)C(=C)C[C@H]1O[B-](O)(O)c2cccc(F )c12; [B-]1(c2cccc(c2[C@H](O1)CC(=C)C(=O )O)F)(O)O |
2-[[(9R)-2-fluoranyl-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]methyl]prop-2-enoic acid |
| 13879 |  A1LXG |
2 | C14 H17 B N O6 | InChI=1S/C14H17BNO6/c1-8( 14(17)18)4-13-11-3-2-9(21 -10-6-16-7-10)5-12(11)15( 19,20)22-13/h2-3,5,10,13, 16,19-20H,1,4,6-7H2,(H,17 ,18)/q-1/t13-/m1/s1; JUFYVFSDLSYUPR-CYBMUJFWSA-N |
[B-]1(c2cc(ccc2[C@H](O1)CC(=C)C(=O)O)OC3 CNC3)(O)O; OC(=O)C(=C)C[CH]1O[B-](O)(O)c 2cc(OC3CNC3)ccc12; OC(=O)C(=C)C[C@H]1O[B -](O)(O)c2cc(OC3CNC3)ccc12; [B-]1(c2cc(c cc2C(O1)CC(=C)C(=O)O)OC3CNC3)(O)O |
2-[[(3~{R})-6-(azetidin-3-yloxy)-1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-3-yl]methyl]prop-2-enoic acid |
| 13880 |  A1LXH |
3 | C18 H18 B O7 | InChI=1S/C18H18BO7/c1-11( 18(20)21)9-17-15-10-14(7- 8-16(15)19(22,23)26-17)25 -13-5-3-12(24-2)4-6-13/h3 -8,10,17,22-23H,1,9H2,2H3 ,(H,20,21)/q-1/t17-/m1/s1; LKZWSGRMMVRPIY-QGZVFWFLSA-N |
[B-]1(c2ccc(cc2[C@H](O1)CC(=C)C(=O)O)Oc3 ccc(cc3)OC)(O)O; COc1ccc(Oc2ccc3c(c2)[CH ](CC(=C)C(O)=O)O[B-]3(O)O)cc1; [B-]1(c2c cc(cc2C(O1)CC(=C)C(=O)O)Oc3ccc(cc3)OC)(O )O; COc1ccc(Oc2ccc3c(c2)[C@@H](CC(=C)C(O )=O)O[B-]3(O)O)cc1 |
2-[[(9~{R})-3-(4-methoxyphenoxy)-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-yl]methyl]prop-2-enoic acid |
| 13881 |  A1LXL |
5 | C29 H50 O | InChI=1S/C29H50O/c1-7-21( 19(2)3)9-8-20(4)25-12-13- 26-24-11-10-22-18-23(30)1 4-16-28(22,5)27(24)15-17- 29(25,26)6/h10,19-21,23-2 7,30H,7-9,11-18H2,1-6H3/t 20-,21-,23+,24+,25-,26+,2 7+,28+,29-/m1/s1; KZJWDPNRJALLNS-VJSFXXLFSA-N |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3 CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C )C(C)C; CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H ]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@ @H](C4)O)C)C)C(C)C; CC[CH](CC[CH](C)[CH] 1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3 CC[C]12C)C(C)C; CCC(CCC(C)C1CCC2C1(CCC3C 2CC=C4C3(CCC(C4)O)C)C)C(C)C |
Beta-Sitosterol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 13882 |  A1LXN |
0 | C6 H7 N5 O | InChI=1S/C6H7N5O/c1-2-8-3 -4(9-2)10-6(7)11-5(3)12/h 1H3,(H4,7,8,9,10,11,12); DJGMEMUXTWZGIC-UHFFFAOYSA-N |
Cc1[nH]c2c(n1)C(=O)NC(=N2)N; Cc1[nH]c2N= C(N)NC(=O)c2n1 |
2-azanyl-8-methyl-1,9-dihydropurin-6-one |
| 13883 |  A1LXO |
3 | C27 H38 N2 O3 | InChI=1S/C27H38N2O3/c1-21 -8-12-25(13-9-21)32-19-5- 17-29(18-16-22-6-3-2-4-7- 22)24-11-14-26(28)23(20-2 4)10-15-27(30)31/h8-9,11- 14,20,22H,2-7,10,15-19,28 H2,1H3,(H,30,31); HZQMXFAGAHDOBZ-UHFFFAOYSA-N |
Cc1ccc(OCCCN(CCC2CCCCC2)c3ccc(N)c(CCC(O) =O)c3)cc1; Cc1ccc(cc1)OCCCN(CCC2CCCCC2)c 3ccc(c(c3)CCC(=O)O)N |
3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid |
| 13884 |  A1LXP |
12 | C40 H56 O2 | InChI=1S/C40H56O2/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/h11-25,3 5-37,41-42H,26-28H2,1-10H 3/b12-11+,17-13+,18-14+,2 3-21+,24-22+,29-15+,30-16 +,31-19+,32-20+/t35-,36+, 37-/m0/s1; KBPHJBAIARWVSC-RGZFRNHPSA-N |
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O )CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2 (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)/C=C /[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C; CC1 =C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C )C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C; CC (=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C @@H](O)CC1(C)C)/C=C/C=C(C)/C=C/[C@H]2C(= C[C@H](O)CC2(C)C)C |
Lutein; (3R,3'R,6'R)-beta,epsilon-Carotene-3,3'-diol; (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
| 13885 |  A1LXQ |
5 | C17 H13 N O6 | InChI=1S/C17H13NO6/c1-22- 16(20)10-5-9(6-11(7-10)17 (21)23-2)14-8-12-13(24-14 )3-4-18-15(12)19/h3-8H,1- 2H3,(H,18,19); RYAJKWVOTXPFPC-UHFFFAOYSA-N |
COC(=O)c1cc(cc(c1)C(=O)OC)c2cc3c(o2)C=CN C3=O; COC(=O)c1cc(cc(c1)c2oc3C=CNC(=O)c3 c2)C(=O)OC |
dimethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzene-1,3-dicarboxylate |
| 13886 |  A1LXR |
1 | C38 H77 N O3 | InChI=1S/C38H77NO3/c1-3-5 -7-9-11-13-15-17-18-19-20 -22-24-26-28-30-32-34-38( 42)39-36(35-40)37(41)33-3 1-29-27-25-23-21-16-14-12 -10-8-6-4-2/h36-37,40-41H ,3-35H2,1-2H3,(H,39,42)/t 36-,37+/m0/s1; ZWAUSWHRQBSECP-PQQNNWGCSA-N |
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H ](CCCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCCCCCC C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O )CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCC(= O)NC(CO)C(CCCCCCCCCCCCCCC)O |
Cer(d18:0/20:0); N-(eicosanoyl)-dihydroceramide; N-(eicosanoyl)-sphinganine |
| 13887 |  A1LXS |
0 | C12 H14 F I N3 O6 P | InChI=1S/C12H14FIN3O6P/c1 -5-8-6(14)2-17(11(8)16-4- 15-5)12-9(13)10(18)7(23-1 2)3-22-24(19,20)21/h2,4,7 ,9-10,12,18H,3H2,1H3,(H2, 19,20,21)/t7-,9+,10-,12-/ m1/s1; GLTADVOSHVFARN-DLYFRVTGSA-N |
Cc1c2c(cn(c2ncn1)[C@H]3[C@H]([C@@H]([C@H ](O3)COP(=O)(O)O)O)F)I; Cc1c2c(cn(c2ncn1 )C3C(C(C(O3)COP(=O)(O)O)O)F)I; Cc1ncnc2n (cc(I)c12)[CH]3O[CH](CO[P](O)(O)=O)[CH]( O)[CH]3F; Cc1ncnc2n(cc(I)c12)[C@@H]3O[C@ H](CO[P](O)(O)=O)[C@@H](O)[C@@H]3F |
[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 13888 |  A1LXU |
1 | C14 H20 N4 O8 | InChI=1S/C14H20N4O8/c1-6( 20)2-18-9(23)4-17(3-7(21) 11(24)8(22)5-19)12-10(18) 13(25)16-14(26)15-12/h7-8 ,11,19,21-22,24H,2-5H2,1H 3,(H2,15,16,25,26)/t7-,8+ ,11-/m0/s1; HUQODSLWOXPUOK-RNSXUZJQSA-N |
CC(=O)CN1C(=O)CN(C[C@H](O)[C@H](O)[C@H]( O)CO)C2=C1C(=O)NC(=O)N2; CC(=O)CN1C(=O)C N(C2=C1C(=O)NC(=O)N2)CC(C(C(CO)O)O)O; CC (=O)CN1C(=O)CN(C2=C1C(=O)NC(=O)N2)C[C@@H ]([C@@H]([C@@H](CO)O)O)O; CC(=O)CN1C(=O) CN(C[CH](O)[CH](O)[CH](O)CO)C2=C1C(=O)NC (=O)N2 |
5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione |
| 13889 |  A1LXV |
1 | C46 H55 N7 O7 S | InChI=1S/C46H55N7O7S/c1-3 3-43(41(49(4)47-33)32-60- 36-19-17-35(18-20-36)51-2 2-24-52(25-23-51)61(56,57 )48(2)3)40-14-8-13-38-39( 15-9-29-59-42-16-7-11-34- 10-5-6-12-37(34)42)45(46( 54)55)53(44(38)40)26-21-5 0-27-30-58-31-28-50/h5-8, 10-14,16-20H,9,15,21-32H2 ,1-4H3,(H,54,55); XMVAWGSQPHFXKU-UHFFFAOYSA-N |
Cc1c(c(n(n1)C)COc2ccc(cc2)N3CCN(CC3)S(=O )(=O)N(C)C)c4cccc5c4n(c(c5CCCOc6cccc7c6c ccc7)C(=O)O)CCN8CCOCC8; CN(C)[S](=O)(=O) N1CCN(CC1)c2ccc(OCc3n(C)nc(C)c3c4cccc5c( CCCOc6cccc7ccccc67)c(n(CCN8CCOCC8)c45)C( O)=O)cc2 |
A-1210477; 1668553-26-1 |
| 13890 |  A1LXW |
1 | C8 H8 O3 | InChI=1S/C8H8O3/c1-5-4-6( 8(10)11)2-3-7(5)9/h2-4,9H ,1H3,(H,10,11); LTFHNKUKQYVHDX-UHFFFAOYSA-N |
Cc1cc(ccc1O)C(=O)O; Cc1cc(ccc1O)C(O)=O | 3-methyl-4-oxidanyl-benzoic acid |
| 13891 |  A1LXX |
3 | C18 H38 N O2 | InChI=1S/C18H37NO2/c1-4-5 -6-7-8-9-10-11-12-13-16-1 9(2,3)17-14-15-18(20)21/h 4-17H2,1-3H3/p+1; ZFVNBVQBIZJUEY-UHFFFAOYSA-O |
CCCCCCCCCCCC[N+](C)(C)CCCC(O)=O; CCCCCCC CCCCC[N+](C)(C)CCCC(=O)O |
4-[dodecyl(dimethyl)-$l^{4}-azanyl]butanoic acid |
| 13892 |  A1LXY |
1 | C24 H28 N2 O3 | InChI=1S/C24H28N2O3/c1-3- 26(4-2)23(28)18-10-8-17(9 -11-18)19-16-24(12-14-25- 15-13-24)29-21-7-5-6-20(2 7)22(19)21/h5-11,16,25,27 H,3-4,12-15H2,1-2H3; OPIKUXLJQFYMSC-UHFFFAOYSA-N |
CCN(CC)C(=O)c1ccc(cc1)C2=CC3(CCNCC3)Oc4c ccc(O)c24; CCN(CC)C(=O)c1ccc(cc1)C2=CC3( CCNCC3)Oc4c2c(ccc4)O |
~{N},~{N}-diethyl-4-(5-oxidanylspiro[chromene-2,4'-piperidine]-4-yl)benzamide |
| 13893 |  A1LY0 |
4 | C53 H67 N9 O6 S2 | InChI=1S/C53H67N9O6S2/c1- 31-33(3)70-52-45(31)46-36 -21-23-39(24-22-36)68-26- 14-10-12-16-43(64)58-48(5 3(5,6)7)51(67)61-29-38(63 )27-42(61)50(66)57-40(35- 17-19-37(20-18-35)47-32(2 )55-30-69-47)15-11-8-9-13 -25-54-44(65)28-41(56-46) 49-60-59-34(4)62(49)52/h1 7-24,30,38,40-42,48,63H,8 -16,25-29H2,1-7H3,(H,54,6 5)(H,57,66)(H,58,64)/t38- ,40+,41+,42+,48-/m1/s1; YABHYBSKVQYRGI-SVRJHHFNSA-N |
Cc1c(sc-2c1C3=NC(CC(=O)NCCCCCCC(NC(=O)C4 CC(CN4C(=O)C(NC(=O)CCCCCOc5ccc3cc5)C(C)( C)C)O)c6ccc(cc6)c7c(ncs7)C)c8n2c(nn8)C)C ; Cc1c(sc-2c1C3=N[C@@H](CC(=O)NCCCCCC[C@ H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC (=O)CCCCCOc5ccc3cc5)C(C)(C)C)O)c6ccc(cc6 )c7c(ncs7)C)c8n2c(nn8)C)C; Cc1sc2n3c(C)n nc3[CH]4CC(=O)NCCCCCC[CH](NC(=O)[CH]5C[C H](O)CN5C(=O)[CH](NC(=O)CCCCCOc6ccc(cc6) C(=N4)c2c1C)C(C)(C)C)c7ccc(cc7)c8scnc8C; Cc1sc2n3c(C)nnc3[C@@H]4CC(=O)NCCCCCC[C@ H](NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H] (NC(=O)CCCCCOc6ccc(cc6)C(=N4)c2c1C)C(C)( C)C)c7ccc(cc7)c8scnc8C |
SHD931 |
| 13894 |  A1LY1 |
2 | C32 H37 N5 O6 | InChI=1S/C32H37N5O6/c1-33 -32(40)37-14-10-25-19-29( 28(21-27(25)37)42-18-17-4 1-2)43-26-7-11-34-30(20-2 6)35-31(39)24-5-3-22(4-6- 24)23-8-12-36(13-9-23)15- 16-38/h3-7,10-11,14,19-21 ,23,38H,8-9,12-13,15-18H2 ,1-2H3,(H,33,40)(H,34,35, 39); IBHOLSBDZMIPPT-UHFFFAOYSA-N |
CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4) C5CCN(CCO)CC5)c3)c(OCCOC)cc12; CNC(=O)n1 ccc2c1cc(c(c2)Oc3ccnc(c3)NC(=O)c4ccc(cc4 )C5CCN(CC5)CCO)OCCOC |
Tasurgratinib; E-7090 |
| 13895 |  A1LY2 |
1 | C9 H9 N3 | InChI=1S/C9H9N3/c1-3-10-4 -2-8(1)5-9-6-11-7-12-9/h1 -4,6-7H,5H2,(H,11,12); DFVSGZHJSIEEQQ-UHFFFAOYSA-N |
C(c1ccncc1)c2c[nH]cn2; c1cnccc1Cc2c[nH]c n2 |
4-(1H-imidazol-4-ylmethyl)pyridine |
| 13896 |  A1LY3 |
1 | C13 H16 N2 O | InChI=1S/C13H16N2O/c1-2-5 -12(6-3-1)10-16-8-4-7-13- 9-14-11-15-13/h1-3,5-6,9, 11H,4,7-8,10H2,(H,14,15); WNWALBVQAAIULR-UHFFFAOYSA-N |
c1ccc(cc1)COCCCc2cnc[nH]2; C(COCc1ccccc1 )Cc2[nH]cnc2 |
5-(3-phenylmethoxypropyl)-1H-imidazole |
| 13897 |  A1LY4 |
2 | C9 H15 N3 | InChI=1S/C9H15N3/c1-3-10- 4-2-8(1)5-9-6-11-7-12-9/h 6-8,10H,1-5H2,(H,11,12); MCNGUYXRBCIGOV-UHFFFAOYSA-N |
c1c([nH]cn1)CC2CCNCC2; C1CC(CCN1)Cc2[nH] cnc2 |
4-(1H-imidazol-5-ylmethyl)piperidine |
| 13898 |  A1LYA |
0 | C42 H82 N O8 P | InChI=1S/C42H82NO8P/c1-6- 8-10-12-14-16-18-20-21-23 -25-27-29-31-33-35-42(45) 51-40(39-50-52(46,47)49-3 7-36-43(3,4)5)38-48-41(44 )34-32-30-28-26-24-22-19- 17-15-13-11-9-7-2/h17,19, 40H,6-16,18,20-39H2,1-5H3 /b19-17+/t40-/m1/s1; LJUDFFWSOQEQKW-NTUCYIKDSA-N |
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC CCC/C=C/CCCCCC)COP(=O)([O-])OCC[N+](C)(C )C; CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)C CCCCCCC=CCCCCCC)CO[P]([O-])(=O)OCC[N+](C )(C)C; CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC( =O)CCCCCCC\C=C\CCCCCC)CO[P]([O-])(=O)OCC [N+](C)(C)C; CCCCCCCCCCCCCCCCCC(=O)OC(CO C(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N +](C)(C)C |
[(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| 13899 |  A1LYE |
4 | C11 H16 N4 O2 | InChI=1S/C11H16N4O2/c1-6( 2)9-11(17)14-8(10(16)15-9 )3-7-4-12-5-13-7/h4-6,8-9 H,3H2,1-2H3,(H,12,13)(H,1 4,17)(H,15,16)/t8-,9-/m0/ s1; CNEIXWVYFRHWEJ-IUCAKERBSA-N |
CC(C)[CH]1NC(=O)[CH](Cc2c[nH]cn2)NC1=O; CC(C)C1C(=O)NC(C(=O)N1)Cc2c[nH]cn2; CC(C )[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]cn2; CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC1= O |
(3~{S},6~{S})-3-(1~{H}-imidazol-4-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione |
| 13900 |  A1LYF |
4 | C11 H14 N4 O2 | InChI=1S/C11H14N4O2/c1-6( 2)9-11(17)14-8(10(16)15-9 )3-7-4-12-5-13-7/h3-6,9H, 1-2H3,(H,12,13)(H,14,17)( H,15,16)/b8-3-/t9-/m0/s1; VFDJEJCELMPUBS-CHDHTGKKSA-N |
CC(C)[C@H]1C(=O)N/C(=C\c2c[nH]cn2)/C(=O) N1; CC(C)[C@@H]1NC(=O)\C(NC1=O)=C\c2c[nH ]cn2; CC(C)C1C(=O)NC(=Cc2c[nH]cn2)C(=O)N 1; CC(C)[CH]1NC(=O)C(NC1=O)=Cc2c[nH]cn2 |
(3~{Z},6~{S})-3-(1~{H}-imidazol-4-ylmethylidene)-6-propan-2-yl-piperazine-2,5-dione |
| 13901 |  A1LYJ |
6 | C12 H12 N2 O3 S | InChI=1S/C12H12N2O3S/c1-1 6-8-5-3-4-7(10(8)17-2)6-9 -11(15)14-12(13)18-9/h3-6 H,1-2H3,(H2,13,14,15)/b9- 6+; GUZXOEURHZVATE-RMKNXTFCSA-N |
[H]/N=C\1/NC(=O)/C(=C\c2cccc(c2OC)OC)/S1 ; COc1cccc(C=C2SC(=N)NC2=O)c1OC; COc1ccc c(c1OC)C=C2C(=O)NC(=N)S2; COc1cccc(/C=C2 /SC(=N)NC2=O)c1OC |
(5E)-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one |
| 13902 |  A1LYK |
0 | C17 H17 N O3 | InChI=1S/C17H17NO3/c1-18( 2)9-10-20-12-7-8-16-14(11 -12)17(19)13-5-3-4-6-15(1 3)21-16/h3-8,11H,9-10H2,1 -2H3; ZMRHVXPPMFZZHV-UHFFFAOYSA-N |
CN(C)CCOc1ccc2c(c1)C(=O)c3ccccc3O2; CN(C )CCOc1ccc2Oc3ccccc3C(=O)c2c1 |
2-[2-(dimethylamino)ethoxy]xanthen-9-one |
| 13903 |  A1LYL |
0 | C16 H19 N3 O | InChI=1S/C16H19N3O/c1-11- 16-14(6-7-17-11)13-5-4-12 (10-15(13)18-16)20-9-8-19 (2)3/h4-7,10,18H,8-9H2,1- 3H3; RMAYMVOWWDYRGB-UHFFFAOYSA-N |
CN(C)CCOc1ccc2c([nH]c3c(C)nccc23)c1; Cc1 c2c(ccn1)c3ccc(cc3[nH]2)OCCN(C)C |
~{N},~{N}-dimethyl-2-[(1-methyl-9~{H}-pyrido[3,4-b]indol-7-yl)oxy]ethanamine |
| 13904 |  A1LYN |
5 | C10 H22 O3 | InChI=1S/C10H22O3/c11-8-6 -4-2-1-3-5-7-10(13)9-12/h 10-13H,1-9H2/t10-/m0/s1; RHINSRUDDXGHLV-JTQLQIEISA-N |
OCCCCCCCC[CH](O)CO; C(CCCCO)CCCC(CO)O; C (CCCCO)CCC[C@@H](CO)O; OCCCCCCCC[C@H](O) CO |
(2S)-decane-1,2,10-triol |
| 13905 |  A1LYO |
0 | C58 H70 N26 O12 | InChI=1S/C58H70N26O12/c1- 77-21-29-17-35(77)51(89)6 1-13-9-33(59)49(87)75-41- 27-83(7)47(73-41)57(95)67 -31-19-38(80(4)23-31)54(9 2)64-16-12-44(86)70-40-26 -82(6)46(72-40)56(94)66-3 0-18-36(78(2)22-30)52(90) 62-14-10-34(60)50(88)76-4 2-28-84(8)48(74-42)58(96) 68-32-20-37(79(3)24-32)53 (91)63-15-11-43(85)69-39- 25-81(5)45(71-39)55(93)65 -29/h17-28,33-34H,9-16,59 -60H2,1-8H3,(H,61,89)(H,6 2,90)(H,63,91)(H,64,92)(H ,65,93)(H,66,94)(H,67,95) (H,68,96)(H,69,85)(H,70,8 6)(H,75,87)(H,76,88)/t33- ,34-/m1/s1; QKAIZNHPQCMMDA-KKLWWLSJSA-N |
Cn1cc2NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(= O)c5nc(NC(=O)[C@H](N)CCNC(=O)c6cc(NC(=O) c7nc(NC(=O)CCNC(=O)c8cc(NC(=O)c9nc(NC(=O )[C@H](N)CCNC(=O)c1c2)cn9C)cn8C)cn7C)cn6 C)cn5C)cn4C)cn3C; Cn1cc2cc1C(=O)NCCC(C(= O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCC (=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)NC CC(C(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(= O)NCCC(=O)Nc9cn(c(n9)C(=O)N2)C)C)N)C)C)N ; Cn1cc2NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC (=O)c5nc(NC(=O)[CH](N)CCNC(=O)c6cc(NC(=O )c7nc(NC(=O)CCNC(=O)c8cc(NC(=O)c9nc(NC(= O)[CH](N)CCNC(=O)c1c2)cn9C)cn8C)cn7C)cn6 C)cn5C)cn4C)cn3C; Cn1cc2cc1C(=O)NCC[C@H] (C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O) NCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(= O)NCC[C@H](C(=O)Nc7cn(c(n7)C(=O)Nc8cc(n( c8)C)C(=O)NCCC(=O)Nc9cn(c(n9)C(=O)N2)C)C )N)C)C)N |
(1^2Z,4^2Z,11^2Z,14^2Z,22^2Z,25^2Z,32^2Z,35^2Z,19R,40R)-1^1,4^1,11^1,14^1,22^1,25^1,32^1,35^1-octamethyl-2,5,9,12,15,20,23,26,30,33,36,41-dodecaoxo-1^1H,4^1H,11^1H,14^1H,22^1H,25^1H,32^1H,35^1H-3,6,10,13,16,21,24,27,31,34,37,42-dodecaaza-1(2,4),11,22,32(4,2)-tetraimidazola-4,14,25,35(4,2)-tetrapyrrolacyclodotetracontaphane-19,40-diaminium |
| 13906 |  A1LYQ |
1 | C21 H16 Cl N3 O5 | InChI=1S/C21H16ClN3O5/c1- 11-6-13(7-12(2)18(11)28-1 0-17(26)27)19-24-16-9-23- 21(25-20(16)30-19)29-15-5 -3-4-14(22)8-15/h3-9H,10H 2,1-2H3,(H,26,27); WRBZNIUFAKIIQG-UHFFFAOYSA-N |
Cc1cc(cc(c1OCC(=O)O)C)c2nc3cnc(nc3o2)Oc4 cccc(c4)Cl; Cc1cc(cc(C)c1OCC(O)=O)c2oc3n c(Oc4cccc(Cl)c4)ncc3n2 |
SAR247799; 2-[4-[5-(3-chloranylphenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethyl-phenoxy]ethanoic acid |
| 13907 |  A1LYU |
1 | C25 H18 O4 | InChI=1S/C25H18O4/c1-15-1 4-20(26)29-24-18(15)12-13 -19-22(24)21(16-8-4-2-5-9 -16)25(28-19)23(27)17-10- 6-3-7-11-17/h2-14,23,27H, 1H3/t23-/m0/s1; YVAAPHRLEUACEA-QHCPKHFHSA-N |
CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c( c5ccccc5)c23; CC1=CC(=O)Oc2c1ccc3c2c(c(o 3)C(c4ccccc4)O)c5ccccc5; CC1=CC(=O)Oc2c1 ccc3oc([C@@H](O)c4ccccc4)c(c5ccccc5)c23; CC1=CC(=O)Oc2c1ccc3c2c(c(o3)[C@H](c4ccc cc4)O)c5ccccc5 |
4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one |
| 13908 |  A1LYV |
1 | C17 H13 F3 N2 O6 | InChI=1S/C17H13F3N2O6/c18 -17(19,20)28-10-6-4-9(5-7 -10)11-2-1-3-12(21-11)15( 25)22-13(16(26)27)8-14(23 )24/h1-7,13H,8H2,(H,22,25 )(H,23,24)(H,26,27)/t13-/ m0/s1; TUTOXIPIHTUWDS-ZDUSSCGKSA-N |
OC(=O)C[CH](NC(=O)c1cccc(n1)c2ccc(OC(F)( F)F)cc2)C(O)=O; OC(=O)C[C@H](NC(=O)c1ccc c(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O; c1cc(nc (c1)C(=O)N[C@@H](CC(=O)O)C(=O)O)c2ccc(cc 2)OC(F)(F)F; c1cc(nc(c1)C(=O)NC(CC(=O)O) C(=O)O)c2ccc(cc2)OC(F)(F)F |
(2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid |
| 13909 |  A1LYZ |
1 | C22 H31 N3 O6 | InChI=1S/C22H31N3O6/c1-14 (2)10-19(21(28)24-17(12-2 6)11-16-8-9-23-20(16)27)2 5-22(29)31-13-15-4-6-18(3 0-3)7-5-15/h4-7,12,14,16- 17,19H,8-11,13H2,1-3H3,(H ,23,27)(H,24,28)(H,25,29) /t16-,17-,19-/m0/s1; HCIPLFOANXSFSY-LNLFQRSKSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)C=O)NC(=O)OCc2ccc(cc2)OC; COc1ccc(COC( =O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O )C=O)cc1; COc1ccc(COC(=O)N[C@@H](CC(C)C) C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1; CC (C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCc2c cc(cc2)OC |
(4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate |
| 13910 |  A1LZ2 |
4 | C37 H57 N4 O2 | InChI=1S/C37H56N4O2/c1-6- 7-25-41(27-14-10-22-33(41 )37(43)39-35-30(4)19-16-2 0-31(35)5)26-13-8-11-23-4 0-24-12-9-21-32(40)36(42) 38-34-28(2)17-15-18-29(34 )3/h15-20,32-33H,6-14,21- 27H2,1-5H3,(H-,38,39,42,4 3)/p+1/t32-,33-,41+/m0/s1; LDTYQAIXDFBLCF-JHWKUKDKSA-O |
CCCC[N+]1(CCCCCN2CCCC[CH]2C(=O)Nc3c(C)cc cc3C)CCCC[CH]1C(=O)Nc4c(C)cccc4C; CCCC[N @@+]1(CCCCCN2CCCC[C@H]2C(=O)Nc3c(C)cccc3 C)CCCC[C@H]1C(=O)Nc4c(C)cccc4C; CCCC[N+] 1(CCCCC1C(=O)Nc2c(cccc2C)C)CCCCCN3CCCCC3 C(=O)Nc4c(cccc4C)C; CCCC[N@+]1(CCCC[C@H] 1C(=O)Nc2c(cccc2C)C)CCCCCN3CCCC[C@H]3C(= O)Nc4c(cccc4C)C |
(1~{R},2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)-1-[5-[(2~{S})-2-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]pentyl]piperidin-1-ium-2-carboxamide |
| 13911 |  A1LZ3 |
0 | C14 H25 N5 O8 P | InChI=1S/C14H25N5O8P/c15- 9-4-6-19(14(18-9)17-5-2-1 -3-10(16)20)13-12(22)11(2 1)8(27-13)7-26-28(23,24)2 5/h4,6,8,11-13,21-22H,1-3 ,5,7H2,(H2,16,20)(H3,15,1 7,18)(H2,23,24,25)/p+1/t8 -,11-,12-,13-/m1/s1; SABJJGCQRBWSOB-HUXSOILUSA-O |
Nc1cc[n]([C@@H]2O[C@H](CO[P](O)(O)=O)[C@ @H](O)[C@H]2O)c(NCCCCC([NH2+])=O)n1; Nc1 cc[n]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[C H]2O)c(NCCCCC([NH2+])=O)n1; C1=C(N=C([N] (=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)NCCCCC(= O)[NH2+])N; C1=C(N=C([N](=C1)[C@H]2[C@@H ]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCCCCC (=O)[NH2+])N |
[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-[(5-azanyl-5-oxidanylidene-pentyl)amino]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphite |
| 13912 |  A1LZ5 |
2 | C28 H31 N3 O | InChI=1S/C28H31N3O/c1-19- 6-10-22(31-16-14-30(2)15- 17-31)18-24(19)27(32)29-2 8(12-13-28)25-11-9-21-8-7 -20-4-3-5-23(25)26(20)21/ h3-6,9-11,18H,7-8,12-17H2 ,1-2H3,(H,29,32); OZFSYRYXVDORMK-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(C)c(c2)C(=O)NC3(CC3)c4c cc5CCc6cccc4c56; Cc1ccc(cc1C(=O)NC2(CC2) c3ccc4c5c3cccc5CC4)N6CCN(CC6)C |
~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide |
| 13913 |  A1LZ6 |
1 | C32 H36 N4 O3 | InChI=1S/C32H36N4O3/c1-20 -7-8-21(36-18-22(19-36)35 -15-13-31(2,39)14-16-35)1 7-25(20)29(37)33-32(11-12 -32)26-9-10-27-28-23(26)5 -4-6-24(28)30(38)34(27)3/ h4-10,17,22,39H,11-16,18- 19H2,1-3H3,(H,33,37); IHUOWXQOCOSXSU-UHFFFAOYSA-N |
Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C( =O)N4C)N6CC(C6)N7CCC(CC7)(C)O; CN1C(=O)c 2cccc3c(ccc1c23)C4(CC4)NC(=O)c5cc(ccc5C) N6CC(C6)N7CCC(C)(O)CC7 |
2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]-5-[3-(4-methyl-4-oxidanyl-piperidin-1-yl)azetidin-1-yl]benzamide |
| 13914 |  A1LZ7 |
2 | C30 H35 N3 O | InChI=1S/C30H35N3O/c1-4-3 2-16-17-33(19-21(32)3)24- 12-8-20(2)26(18-24)29(34) 31-30(14-15-30)27-13-11-2 3-10-9-22-6-5-7-25(27)28( 22)23/h5-8,11-13,18,21H,4 ,9-10,14-17,19H2,1-3H3,(H ,31,34)/t21-/m0/s1; CVNXPJQPKSLBEK-NRFANRHFSA-N |
CCN1CCN(C[C@@H]1C)c2ccc(C)c(c2)C(=O)NC3( CC3)c4ccc5CCc6cccc4c56; CCN1CCN(C[CH]1C) c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc 4c56; CCN1CCN(C[C@@H]1C)c2ccc(c(c2)C(=O) NC3(CC3)c4ccc5c6c4cccc6CC5)C; CCN1CCN(CC 1C)c2ccc(c(c2)C(=O)NC3(CC3)c4ccc5c6c4ccc c6CC5)C |
~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide |
| 13915 |  A1LZ8 |
2 | C28 H28 N4 O2 | InChI=1S/C28H28N4O2/c1-16 -6-7-19(32-14-17-12-18(15 -32)29-17)13-22(16)26(33) 30-28(10-11-28)23-8-9-24- 25-20(23)4-3-5-21(25)27(3 4)31(24)2/h3-9,13,17-18,2 9H,10-12,14-15H2,1-2H3,(H ,30,33)/t17-,18+; NSNJCLUPOYTRHK-HDICACEKSA-N |
Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C( =O)N4C)N6C[C@H]7C[C@@H](C6)N7; CN1C(=O)c 2cccc3c(ccc1c23)C4(CC4)NC(=O)c5cc(ccc5C) N6C[CH]7C[CH](C6)N7; CN1C(=O)c2cccc3c(cc c1c23)C4(CC4)NC(=O)c5cc(ccc5C)N6C[C@H]7C [C@@H](C6)N7; Cc1ccc(cc1C(=O)NC2(CC2)c3c cc4c5c3cccc5C(=O)N4C)N6CC7CC(C6)N7 |
5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide |
| 13916 |  A1LZA |
28 | C24 H26 N4 O | InChI=1S/C24H26N4O/c1-18- 7-5-6-10-20(18)16-27-13-1 4-28-22-11-12-26(15-19-8- 3-2-4-9-19)17-21(22)23(29 )25-24(27)28/h2-10H,11-17 H2,1H3; CPQVAKZHOMXNHY-UHFFFAOYSA-N |
Cc1ccccc1CN2CCN3C4=C(CN(CC4)Cc5ccccc5)C( =O)N=C23; Cc1ccccc1CN2CCN3C2=NC(=O)C4=C3 CCN(C4)Cc5ccccc5 |
5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one |
| 13917 |  A1LZJ |
1 | C26 H23 F N6 | InChI=1S/C26H23FN6/c1-16- 2-4-17(5-3-16)22-23(18-6- 7-19(15-28)21(27)14-18)32 -26(25-24(22)30-10-11-31- 25)33-12-8-20(29)9-13-33/ h2-7,10-11,14,20H,8-9,12- 13,29H2,1H3; BISBXLFNGMDQKO-UHFFFAOYSA-N |
Cc1ccc(cc1)c2c(nc(N3CCC(N)CC3)c4nccnc24) c5ccc(C#N)c(F)c5; Cc1ccc(cc1)c2c3c(c(nc2 c4ccc(c(c4)F)C#N)N5CCC(CC5)N)nccn3 |
4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile |
| 13918 |  A1LZM |
175 | C55 H70 Mg N4 O6 | InChI=1S/C55H71N4O6.Mg/c1 -13-39-34(7)41-29-46-48(3 8(11)60)36(9)43(57-46)27- 42-35(8)40(52(58-42)50-51 (55(63)64-12)54(62)49-37( 10)44(59-53(49)50)28-45(3 9)56-41)23-24-47(61)65-26 -25-33(6)22-16-21-32(5)20 -15-19-31(4)18-14-17-30(2 )3;/h13,19,25,27-30,32,34 -35,40,51H,14-18,20-24,26 H2,1-12H3,(H-,56,57,58,59 ,60,62);/q-1;+2/p-1/b31-1 9+,33-25+,39-13+;/t32-,34 ?,35?,40?,51-;/m1./s1; CEXNNVAXOSZTBM-NEIICFFNSA-M |
C/C=C/1\C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C 7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N] 6C(=C4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C) CC/C=C(\C)/CCCC(C)C)C)C)C(=O)C)C; COC(=O )[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N ]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH ]7CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC( C)C)[CH](C)C4=CC; CC=C1C(C2=Cc3c(c(c4n3[ Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(= O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCC C(C)CCC=C(C)CCCC(C)C)C)C)C(=O)C)C; COC(= O)[C@H]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg] [N@@]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[C@H]( C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CC\ C=C(/C)CCCC(C)C)[C@@H](C)\C4=C/C |
Trans-Geranyl Bacteriochlorophyll B |
| 13919 |  A1LZO |
2 | C10 H10 N2 O6 | InChI=1S/C10H10N2O6/c13-8 -2-1-6(3-7(8)12(17)18)4-9 (14)11-5-10(15)16/h1-3,13 H,4-5H2,(H,11,14)(H,15,16 ); GTYVYDYXIPPDBJ-UHFFFAOYSA-N |
OC(=O)CNC(=O)Cc1ccc(O)c(c1)[N](=O)=O; c1 cc(c(cc1CC(=O)NCC(=O)O)N(=O)=O)O |
2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid |
| 13920 |  A1LZP |
4 | C55 H72 N4 O6 | InChI=1S/C55H72N4O6/c1-13 -39-34(7)41-29-46-48(38(1 1)60)36(9)43(57-46)27-42- 35(8)40(52(58-42)50-51(55 (63)64-12)54(62)49-37(10) 44(59-53(49)50)28-45(39)5 6-41)23-24-47(61)65-26-25 -33(6)22-16-21-32(5)20-15 -19-31(4)18-14-17-30(2)3/ h13,19,25,27-30,32,34-35, 40,51,57,59H,14-18,20-24, 26H2,1-12H3/b31-19+,33-25 -,39-13+,41-29-,42-27-,43 -27-,44-28-,45-28-,46-29- ,52-50-/t32-,34?,35?,40?, 51-/m1/s1; GITBURVOIOOMIM-KBVICSHCSA-N |
COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc 5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5 C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)C CC=C(C)CCCC(C)C; CC=C1c2cc3c(c4c([nH]3)c (c5nc(cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C) C(C5CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C )C)C)C(C4=O)C(=O)OC)C; COC(=O)[C@H]1C(=O )c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3) C(=C/C)/[C@H]6C)c(C(C)=O)c5C)[C@@H](C)[C @H]4CCC(=O)OC/C=C(/C)CCC[C@H](C)CC\C=C(/ C)CCCC(C)C; C/C=C\1/c2/cc\3/c(c4c([nH]3) c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(= O)C)C)/C(C5CCC(=O)OC/C=C(/C)\CCC[C@H](C) CC/C=C(\C)/CCCC(C)C)C)[C@H](C4=O)C(=O)OC )C |
Trans-Geranyl Bacteriopheophytin B |
| 13921 |  A1LZQ |
16 | C55 H70 Mg N4 O6 | InChI=1S/C55H71N4O6.Mg/c1 -13-39-34(7)41-29-46-48(3 8(11)60)36(9)43(57-46)27- 42-35(8)40(52(58-42)50-51 (55(63)64-12)54(62)49-37( 10)44(59-53(49)50)28-45(3 9)56-41)23-24-47(61)65-26 -25-33(6)22-16-21-32(5)20 -15-19-31(4)18-14-17-30(2 )3;/h13,19,25,27-30,32,34 -35,39-40,51H,1,14-18,20- 24,26H2,2-12H3,(H-,56,57, 58,59,60,62);/q-1;+2/p-1/ t32?,34-,35+,39-,40+,51-; /m1./s1; FQBSMLYJYBYPGF-CZXYOYAHSA-M |
COC(=O)[C@H]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n 6[Mg][N@@]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[ C@@H](C)[C@@H]7CCC(=O)OCC=C(C)CCCC(C)CCC =C(C)CCCC(C)C)[C@H](C)[C@H]4C=C; COC(=O) [CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N] 3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH] 7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C) [CH](C)[CH]4C=C; Cc1c2n3c(c1C(=O)C)C=C4C (C(C5=[N]4[Mg]36[N]7=C(C(C(C7=C2)C)CCC(= O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C8=C9N 6C(=C5)C(=C9C(=O)C8C(=O)OC)C)C=C)C; Cc1c 2n3c(c1C(=O)C)C=C4[C@@H]([C@H](C5=[N]4[M g]36[N]7=C([C@H]([C@@H](C7=C2)C)CCC(=O)O CC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C8=C9N6C( =C5)C(=C9C(=O)[C@@H]8C(=O)OC)C)C=C)C |
Trans-Geranyl 8-vinyl-bacteriochlorophyll B |
| 13922 |  A1LZS |
2 | C23 H26 N4 O4 | InChI=1S/C23H26N4O4/c1-2- 19-20(21(24)27-23(25)26-1 9)31-14-4-3-13-30-18-11-9 -16(10-12-18)15-5-7-17(8- 6-15)22(28)29/h5-12H,2-4, 13-14H2,1H3,(H,28,29)(H4, 24,25,26,27); BZWMZSPIVLREMK-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1OCCCCOc2ccc(cc2)c3ccc(cc 3)C(O)=O; CCc1c(c(nc(n1)N)N)OCCCCOc2ccc( cc2)c3ccc(cc3)C(=O)O |
4-[4-[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxybutoxy]phenyl]benzoic acid |
| 13923 |  A1LZT |
2 | C22 H24 N4 O4 | InChI=1S/C22H24N4O4/c1-2- 18-19(20(23)26-22(24)25-1 8)30-13-3-12-29-17-10-8-1 5(9-11-17)14-4-6-16(7-5-1 4)21(27)28/h4-11H,2-3,12- 13H2,1H3,(H,27,28)(H4,23, 24,25,26); ORJSMNCGGWKWPM-UHFFFAOYSA-N |
CCc1c(c(nc(n1)N)N)OCCCOc2ccc(cc2)c3ccc(c c3)C(=O)O; CCc1nc(N)nc(N)c1OCCCOc2ccc(cc 2)c3ccc(cc3)C(O)=O |
4-[4-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]benzoic acid |
| 13924 |  A1LZU |
1 | C13 H21 O5 P | InChI=1S/C13H21O5P/c1-9(2 )11-6-5-7-12(10(3)4)13(11 )17-8-18-19(14,15)16/h5-7 ,9-10H,8H2,1-4H3,(H2,14,1 5,16); QVNNONOFASOXQV-UHFFFAOYSA-N |
CC(C)c1cccc(c1OCOP(=O)(O)O)C(C)C; CC(C)c 1cccc(C(C)C)c1OCO[P](O)(O)=O |
[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate |
| 13925 |  A1LZV |
1 | C44 H81 N3 O15 P2 | InChI=1S/C44H81N3O15P2/c1 -3-5-7-9-11-13-15-17-19-2 1-23-25-27-29-39(48)57-33 -36(60-40(49)30-28-26-24- 22-20-18-16-14-12-10-8-6- 4-2)34-58-63(53,54)62-64( 55,56)59-35-37-41(50)42(5 1)43(61-37)47-32-31-38(45 )46-44(47)52/h31-32,36-37 ,41-43,50-51H,3-30,33-35H 2,1-2H3,(H,53,54)(H,55,56 )(H2,45,46,52)/t36-,37-,4 1-,42-,43-/m1/s1; ITYHVANGBZMQML-BQUKFSKHSA-N |
CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O [P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C =CC(=NC2=O)N)OC(=O)CCCCCCCCCCCCCCC; CCCC CCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[P] (O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N 2C=CC(=NC2=O)N)OC(=O)CCCCCCCCCCCCCCC; CC CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(= O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C= CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC; C CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)( O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O )CCCCCCCCCCCCCCC |
Cdp-DG(16:0/16:0); 1,2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphosphate; [(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate |
| 13926 |  A1M |
4 | C8 H11 B N5 O7 P S | InChI=1S/C8H11BN5O7PS/c15 -9(21-22(16,17)18)5-10-23 (19,20)7-3-1-6(2-4-7)8-11 -13-14-12-8/h1-4,10,15H,5 H2,(H2,16,17,18)(H,11,12, 13,14); UHAQVSCTKPIBDM-UHFFFAOYSA-N |
B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP( =O)(O)O; OB(CN[S](=O)(=O)c1ccc(cc1)c2[nH ]nnn2)O[P](O)(O)=O |
phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid |
| 13927 |  A1N CHEMBL4098877 |
6 | C21 H25 N5 O2 | InChI=1S/C21H25N5O2/c1-13 -10-26(11-14(2)27-13)19-9 -18(22-12-23-19)20-16-8-1 5(28-21(3)6-7-21)4-5-17(1 6)24-25-20/h4-5,8-9,12-14 H,6-7,10-11H2,1-3H3,(H,24 ,25)/t13-,14+; ATUUNJCZCOMUKD-OKILXGFUSA-N |
C[C@@H]1CN(C[C@@H](O1)C)c2cc(ncn2)c3c4cc (ccc4[nH]n3)OC5(CC5)C; CC1CN(CC(O1)C)c2c c(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C; C[C@ H]1CN(C[C@@H](C)O1)c2cc(ncn2)c3n[nH]c4cc c(OC5(C)CC5)cc34; C[CH]1CN(C[CH](C)O1)c2 cc(ncn2)c3n[nH]c4ccc(OC5(C)CC5)cc34 |
(2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine |
| 13928 |  A1O ZINC000008840608 |
3 | C20 H24 N2 O3 S | InChI=1S/C20H24N2O3S/c1-3 -12-22-19-10-9-18(13-17(1 9)8-11-20(22)23)21-26(24, 25)14-16-6-4-15(2)5-7-16/ h4-7,9-10,13,21H,3,8,11-1 2,14H2,1-2H3; IVHKSUMLZQXFPR-UHFFFAOYSA-N |
CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccc(C)cc 3)ccc12; O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CC C)Cc3ccc(cc3)C; CCCN1c2ccc(cc2CCC1=O)NS( =O)(=O)Cc3ccc(cc3)C |
Quinabactin; 1-(4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
| 13929 |  A1P |
0 | C10 H14 N5 O5 P | InChI=1S/C10H14N5O5P/c11- 10-12-2-5-9(14-10)15(4-13 -5)8-1-6(16)7(20-8)3-19-2 1(17)18/h2,4,6-8,16,21H,1 ,3H2,(H,17,18)(H2,11,12,1 4)/t6-,7+,8+/m0/s1; XHZLYOLDUZBSPU-XLPZGREQSA-N |
c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)O)O ; Nc1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO[P@ H](O)=O)O3)c2n1; c1c2c(nc(n1)N)n(cn2)[C@ H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O; Nc1 ncc2ncn([CH]3C[CH](O)[CH](CO[PH](O)=O)O3 )c2n1; O=P(O)OCC3OC(n2cnc1cnc(nc12)N)CC3 O |
9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-BETA-L-ERYTHRO-PENTOFURANOSYL}-9H-PURIN-2-AMINE |
| 13930 |  A1Q ZINC000098208622 |
5 | C8 H16 O7 | InChI=1S/C8H16O7/c1-14-8- 6(13)4(11)5(12)7(15-8)3(1 0)2-9/h3-13H,2H2,1H3/t3-, 4-,5-,6-,7+,8-/m0/s1; GJUAFBSAJCBGRU-IHKZFYOVSA-N |
OC1C(O)C(O)C(OC1OC)C(O)CO; CO[CH]1O[CH]( [CH](O)CO)[CH](O)[CH](O)[CH]1O; CO[C@@H] 1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O) O)O)O; COC1C(C(C(C(O1)C(CO)O)O)O)O; CO[C @H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O) [C@@H]1O |
methyl L-glycero-alpha-D-manno-heptopyranoside; ALPHA-METHYL HEPTOPYRANOSE; methyl L-glycero-alpha-D-manno-heptoside; methyl L-glycero-D-manno-heptoside; methyl L-glycero-manno-heptoside |
| 13931 |  A1R CHEMBL1230692 ZINC000016052290 |
23 | C15 H24 N6 O12 P2 | InChI=1S/C15H24N6O12P2/c1 6-13-9-14(19-4-18-13)21(5 -20-9)15-12(25)11(24)8(32 -15)3-31-35(28,29)33-34(2 6,27)30-2-6-10(23)7(22)1- 17-6/h4-8,10-12,15,17,22- 25H,1-3H2,(H,26,27)(H,28, 29)(H2,16,18,19)/t6-,7+,8 -,10-,11-,12-,15-/m1/s1; NDQDTBCXPOIQGT-UHNJQBFTSA-N |
O=P(O)(OCC1NCC(O)C1O)OP(=O)(O)OCC4OC(n3c nc2c(ncnc23)N)C(O)C4O; c1nc(c2c(n1)n(cn2 )[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O) (O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4 )O)O)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3 )COP(=O)(O)OP(=O)(O)OCC4C(C(CN4)O)O)O)O) N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(= O)O[P](O)(=O)OC[CH]4NC[CH](O)[CH]4O)[CH] (O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H] (CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]4NC[C@ H](O)[C@@H]4O)[C@@H](O)[C@H]3O |
5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE |
| 13932 |  A1S |
1 | C26 H46 N7 O16 P3 S | InChI=1S/C26H46N7O16P3S/c 1-15(2)6-9-53-10-8-28-17( 34)5-7-29-24(37)21(36)26( 3,4)12-46-52(43,44)49-51( 41,42)45-11-16-20(48-50(3 8,39)40)19(35)25(47-16)33 -14-32-18-22(27)30-13-31- 23(18)33/h13-16,19-21,25, 35-36H,5-12H2,1-4H3,(H,28 ,34)(H,29,37)(H,41,42)(H, 43,44)(H2,27,30,31)(H2,38 ,39,40)/t16-,19-,20-,21+, 25-/m1/s1; LBQVQRQFDUVUCX-MJQNIGQHSA-N |
CC(C)CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO P(=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)CCSCCNC(=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 ; C(SCCNC(CCNC(C(C(COP(OP(OCC3C(OP(O)(O) =O)C(O)C(n1cnc2c(ncnc12)N)O3)(O)=O)(O)=O )(C)C)O)=O)=O)CC(C)C; CC(C)CCSCCNC(=O)CC NC(=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)CCSCCNC(=O)CCNC( =O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O |
isopentyl-Coenzyme A; isopentyl-CoA |
| 13933 |  A1T ZINC000038527089 |
1 | C41 H49 N5 O2 | InChI=1S/C41H49N5O2/c1-2- 3-5-10-32-14-21-39(43-29- 32)41(48)46(38-22-27-44(2 8-23-38)31-37-11-6-7-24-4 2-37)30-33-12-15-34(16-13 -33)35-17-19-36(20-18-35) 40(47)45-25-8-4-9-26-45/h 6-7,11-21,24,29,38H,2-5,8 -10,22-23,25-28,30-31H2,1 H3; RBZSSVVTHOATHE-UHFFFAOYSA-N |
CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(c c3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6; O= C(N1CCCCC1)c2ccc(cc2)c3ccc(cc3)CN(C(=O)c 4ncc(cc4)CCCCC)C6CCN(Cc5ncccc5)CC6 |
5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE |
| 13934 |  A1U ZINC000014448309 |
6 | C6 H8 N2 O | InChI=1S/C6H8N2O/c1-4-3-7 -6(9)5(2)8-4/h3H,1-2H3,(H ,7,9); AJYKJVCIKQEVCF-UHFFFAOYSA-N |
c1c(C)nc(c(n1)O)C; Cc1cnc(O)c(C)n1; Cc1c nc(c(n1)C)O |
3,5-dimethylpyrazin-2-ol |
| 13935 |  A1V |
1 | C20 H12 N6 O4 S4 | InChI=1S/C20H12N6O4S4/c21 -3-14-22-11(5-31-14)18-24 -10(4-33-18)15-8(16-25-12 (6-32-16)19(27)28)1-2-9(2 3-15)17-26-13(7-34-17)20( 29)30/h1-2,4-7H,3,21H2,(H ,27,28)(H,29,30); YMFHXIFIYXCKLO-UHFFFAOYSA-N |
c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc (n4)CN)c5nc(cs5)C(=O)O; c2(nc(c1nc(CN)sc 1)sc2)c3c(ccc(n3)c4nc(cs4)C(=O)O)c5scc(C (O)=O)n5; NCc1scc(n1)c2scc(n2)c3nc(ccc3c 4scc(n4)C(O)=O)c5scc(n5)C(O)=O |
2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid) |
| 13936 |  A1W |
1 | C23 H19 Cl N2 O | InChI=1S/C23H19ClN2O/c24- 16-20(27)26-23(19-14-8-3- 9-15-19)21(17-10-4-1-5-11 -17)22(25-26)18-12-6-2-7- 13-18/h1-15,21,23H,16H2/t 21-,23-/m0/s1; KRLGZQHRFNNZBX-GMAHTHKFSA-N |
ClCC(=O)N1N=C([CH]([CH]1c2ccccc2)c3ccccc 3)c4ccccc4; ClCC(=O)N1N=C([C@@H]([C@@H]1 c2ccccc2)c3ccccc3)c4ccccc4; c1ccc(cc1)C2 C(N(N=C2c3ccccc3)C(=O)CCl)c4ccccc4; O=C( CCl)N1N=C(c2ccccc2)C(C1c1ccccc1)c1ccccc1 ; c1ccc(cc1)[C@@H]2[C@@H](N(N=C2c3ccccc3 )C(=O)CCl)c4ccccc4 |
2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| 13937 |  A1X ZINC000098208623 |
0 | C10 H20 N2 O4 | InChI=1S/C10H20N2O4/c1-4- 16-10(15)8(13)5-9(14)12(1 1)6-7(2)3/h7-8,13H,4-6,11 H2,1-3H3/t8-/m0/s1; GRBPPFREWIWFIU-QMMMGPOBSA-N |
CCOC(=O)[CH](O)CC(=O)N(N)CC(C)C; CCOC(=O )[C@H](CC(=O)N(CC(C)C)N)O; CCOC(=O)[C@@H ](O)CC(=O)N(N)CC(C)C; CCOC(=O)C(CC(=O)N( CC(C)C)N)O; O=C(N(N)CC(C)C)CC(O)C(=O)OCC |
ethyl (2S)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate |
| 13938 |  A1Y CHEMBL1500542 ZINC000019117525 |
2 | C12 H15 N3 O | InChI=1S/C12H15N3O/c1-9-7 -10(2)14-12(11(9)8-13)15- 3-5-16-6-4-15/h7H,3-6H2,1 -2H3; LUTZBWBXBMVIOV-UHFFFAOYSA-N |
Cc1cc(nc(c1C#N)N2CCOCC2)C; Cc1cc(C)c(C#N )c(n1)N2CCOCC2; N2(c1c(C#N)c(C)cc(C)n1)C COCC2 |
4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile |
| 13939 |  A1Z CHEMBL3646221 DB12255 ZINC000117532869 |
3 | C14 H11 Cl N2 O4 | InChI=1S/C14H11ClN2O4/c15 -10-3-1-2-8(4-10)9-5-11(1 8)13(16-6-9)14(21)17-7-12 (19)20/h1-6,18H,7H2,(H,17 ,21)(H,19,20); JGRXMPYUTJLTKT-UHFFFAOYSA-N |
OC(=O)CNC(=O)c1ncc(cc1O)c2cccc(Cl)c2; c1 cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O |
Vadadustat; GSK128863 |
| 13940 |  A20 CHEMBL149082 DB06527 ZINC000001529636 |
1 | C3 H9 N O3 S | InChI=1S/C3H9NO3S/c4-2-1- 3-8(5,6)7/h1-4H2,(H,5,6,7 ); SNKZJIOFVMKAOJ-UHFFFAOYSA-N |
C(CN)CS(=O)(=O)O; O=S(=O)(O)CCCN; NCCC[S ](O)(=O)=O |
3-aminopropane-1-sulfonic acid |
| 13941 |  A21 CHEMBL218006 DB07310 ZINC000014953779 |
4 | C13 H12 F4 N2 O S | InChI=1S/C13H12F4N2OS/c1- 7(8-5-3-4-6-9(8)14)18-11- 19-10(20)12(2,21-11)13(15 ,16)17/h3-7H,1-2H3,(H,18, 19,20)/t7-,12-/m0/s1; KNHNFKZUNFPPQE-MADCSZMMSA-N |
C[CH](NC1=NC(=O)[C](C)(S1)C(F)(F)F)c2ccc cc2F; O=C1N=C(SC1(C)C(F)(F)F)NC(c2ccccc2 F)C; C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F) F)c2ccccc2F; CC(c1ccccc1F)NC2=NC(=O)C(S2 )(C)C(F)(F)F; C[C@@H](c1ccccc1F)NC2=NC(= O)[C@@](S2)(C)C(F)(F)F |
(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one |
| 13942 |  A22 ZINC000098208624 |
1 | C20 H27 N10 O16 P3 | InChI=1S/C20H27N10O16P3/c 21-15-9-17(25-3-23-15)29( 5-27-9)19-13(33)11(31)7(4 3-19)1-41-48(37,38)46-49( 39,40)42-2-8-12(32)14(45- 47(34,35)36)20(44-8)30-6- 28-10-16(22)24-4-26-18(10 )30/h3-8,11-14,19-20,31-3 3H,1-2H2,(H,37,38)(H,39,4 0)(H2,21,23,25)(H2,22,24, 26)(H2,34,35,36)/t7-,8-,1 1-,12-,13-,14-,19-,20-/m1 /s1; JRSFRHPGKHPNEL-XPWFQUROSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H] 4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP (=O)(O)O)O)O)O)N; c1nc(c2c(n1)n(cn2)C3C( C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n 5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N; Nc1ncn c2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O) (=O)OC[CH]4O[CH]([CH](O[P](O)(O)=O)[CH]4 O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O; O=P(O) (OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)( O)OCC6OC(n5cnc4c(ncnc45)N)C(OP(=O)(O)O)C 6O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@ ](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H ](O[P](O)(O)=O)[C@@H]4O)n5cnc6c(N)ncnc56 )[C@@H](O)[C@H]3O |
[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE; 2'-PHOSPHATE BIS(ADENOSINE)-5'-DIPHOSPHATE |
| 13943 |  A23 CHEMBL1230695 ZINC000013776853 |
0 | C10 H13 N5 O9 P2 | InChI=1S/C10H13N5O9P2/c11 -8-5-9(13-2-12-8)15(3-14- 5)10-7-6(23-26(19,20)24-7 )4(22-10)1-21-25(16,17)18 /h2-4,6-7,10H,1H2,(H,19,2 0)(H2,11,12,13)(H2,16,17, 18)/t4-,6-,7-,10-/m1/s1; HJMBCNJTGVMDOA-KQYNXXCUSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@ H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N; Nc1 ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[C H]4O[P](O)(=O)O[CH]34; c1nc(c2c(n1)n(cn2 )C3C4C(C(O3)COP(=O)(O)O)OP(=O)(O4)O)N; N c1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O) =O)[C@H]4O[P@@](O)(=O)O[C@@H]34; O=P1(OC 2C(OC(C2O1)COP(=O)(O)O)n3c4ncnc(N)c4nc3) O |
ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE |
| 13944 |  A24 ZINC000015623492 |
6 | C19 H27 N3 O10 | InChI=1S/C19H27N3O10/c23- 10-14-15(24)16(25)17(26)1 9(32-14)31-13-8-11(7-12(9 -13)22(28)29)18(27)20-1-2 -21-3-5-30-6-4-21/h7-9,14 -17,19,23-26H,1-6,10H2,(H ,20,27)/t14-,15+,16+,17-, 19+/m1/s1; WUPHPSHNWMGIKP-RDHIYWLCSA-N |
c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO) O)O)O)C(=O)NCCN3CCOCC3; [O-][N+](=O)c3cc (OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCN2CCOCC 2)c3; c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@ @H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N CCN3CCOCC3; OC[C@H]1O[C@H](Oc2cc(cc(c2)[ N+]([O-])=O)C(=O)NCCN3CCOCC3)[C@H](O)[C@ @H](O)[C@H]1O; OC[CH]1O[CH](Oc2cc(cc(c2) [N+]([O-])=O)C(=O)NCCN3CCOCC3)[CH](O)[CH ](O)[CH]1O |
(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE; BMSC-0011 |
| 13945 |  A25 CHEMBL223512 DB07311 ZINC000014958160 |
1 | C16 H17 Cl N4 O3 | InChI=1S/C16H17ClN4O3/c17 -11-4-5-13-12(8-11)19-16( 22)21-14-9-18-10-15(20-14 )24-7-3-1-2-6-23-13/h4-5, 8-10H,1-3,6-7H2,(H2,19,20 ,21,22); JRSWWYITYIOHOP-UHFFFAOYSA-N |
c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2; Clc1ccc2OCCCCCOc3cncc(NC(=O)Nc2c1)n3; Cl c3cc2c(OCCCCCOc1nc(cnc1)NC(=O)N2)cc3 |
18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE; 7-CHLORO-11,17-DIOXA-2,4,20,22-TETRAAZA-TRICYCLO[16.3.1.0*5,10*]DOCOSA-1(22),5(10),6,8,18,20-HEXAEN-3-ONE |
| 13946 |  A26 CHEMBL973 DB08880 ZINC000013512456 |
2 | C12 H9 F3 N2 O2 | InChI=1S/C12H9F3N2O2/c1-7 (18)10(6-16)11(19)17-9-4- 2-8(3-5-9)12(13,14)15/h2- 5,18H,1H3,(H,17,19)/b10-7 -; UTNUDOFZCWSZMS-YFHOEESVSA-N |
C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O ; CC(O)=C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F; CC(/O)=C(C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F; O=C(Nc1ccc(cc1)C(F)(F)F)C(/C#N)=C(\O)C; CC(=C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F)O |
(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide; ANTIPROLIFERATIVE AGENT A771726 |
| 13947 |  A27 CHEMBL1093745 ZINC000044460264 |
1 | C23 H21 N3 O2 | InChI=1S/C23H21N3O2/c1-2- 6-22(28)24-23-20-13-18(15 -7-4-3-5-8-15)19(14-21(20 )25-26-23)16-9-11-17(27)1 2-10-16/h3-5,7-14,27H,2,6 H2,1H3,(H2,24,25,26,28); KYYOHACAJWYNOT-UHFFFAOYSA-N |
CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O) c4ccccc4; CCCC(=O)Nc1n[nH]c2cc(c3ccc(O)c c3)c(cc12)c4ccccc4 |
N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide |
| 13948 |  A28 CHEMBL1091788 ZINC000044460265 |
1 | C17 H15 F2 N3 O | InChI=1S/C17H15F2N3O/c1-2 -6-13(23)20-17-12-9-11(10 -7-4-3-5-8-10)14(18)15(19 )16(12)21-22-17/h3-5,7-9H ,2,6H2,1H3,(H2,20,21,22,2 3); TZFLUWBMBJLZQO-UHFFFAOYSA-N |
CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc 3; CCCC(=O)Nc1n[nH]c2c(F)c(F)c(cc12)c3cc ccc3 |
N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide |
| 13949 |  A29 CHEMBL1230698 |
1 | C8 H6 O4 | InChI=1S/C8H6O4/c9-6-3-1- 2-5(4-6)7(10)8(11)12/h1-4 ,9H,(H,11,12); NBDYDHVCTKPDRI-UHFFFAOYSA-N |
O=C(c1cc(O)ccc1)C(=O)O; c1cc(cc(c1)O)C(= O)C(=O)O; OC(=O)C(=O)c1cccc(O)c1 |
2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID |
| 13950 |  A2B ZINC000584905495 |
2 | C5 H10 B O7 | InChI=1S/C5H10BO7/c7-2-5- 4(3(8)1-11-5)12-6(9,10)13 -5/h3-4,7-10H,1-2H2/q-1/t 3-,4+,5+/m0/s1; HLBKGCVZIOGTKY-VPENINKCSA-N |
OC[C]12OC[CH](O)[CH]1O[B-](O)(O)O2; OCC2 1C(O[B-](O1)(O)O)C(O)CO2; OC[C@]12OC[C@H ](O)[C@H]1O[B-](O)(O)O2; [B-]1(O[C@@H]2[ C@H](CO[C@@]2(O1)CO)O)(O)O; [B-]1(OC2C(C OC2(O1)CO)O)(O)O |
L-xylulofuranose-1,2-borate |
| 13951 |  A2C |
2 | C18 H20 N6 O2 | InChI=1S/C18H20N6O2/c19-1 7(20)11-1-3-15(25)13(7-11 )9-23-5-6-24-10-14-8-12(1 8(21)22)2-4-16(14)26/h1-4 ,7-10,25-26H,5-6H2,(H3,19 ,20)(H3,21,22); YUJGWDWOHQDFJV-UHFFFAOYSA-N |
NC(=N)c1ccc(O)c(C=NCCN=Cc2cc(ccc2O)C(N)= N)c1; c1cc(c(cc1C(=N)N)C=NCCN=Cc2cc(ccc2 O)C(=N)N)O; [H]/N=C(\N)/c1cc(c(cc1)O)C=N CCN=Cc2c(ccc(c2)/C(=N\[H])/N)O |
3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide) |
| 13952 |  A2D ZINC000024852723 |
1 | C20 H26 N10 O13 P2 | InChI=1S/C20H26N10O13P2/c 21-15-9-17(25-3-23-15)29( 5-27-9)19-13(33)11(31)7(4 1-19)1-39-44(35,36)43-45( 37,38)40-2-8-12(32)14(34) 20(42-8)30-6-28-10-16(22) 24-4-26-18(10)30/h3-8,11- 14,19-20,31-34H,1-2H2,(H, 35,36)(H,37,38)(H2,21,23, 25)(H2,22,24,26)/t7-,8-,1 1-,12-,13-,14-,19-,20-/m1 /s1; AKDJDUXNKGWGAZ-XPWFQUROSA-N |
Nc1ncnc2n(cnc12)[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 ; O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O )OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6 O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H] ([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[ C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc 6N)O)O)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C( O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc 6c5ncnc6N)O)O)O)O)N; Nc1ncnc2n(cnc12)[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 |
BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE; BIS(ADENOSINE)-5'-DIPHOSPHATE |
| 13953 |  A2E DB04615 ZINC000012504438 |
2 | C32 H44 N4 O | InChI=1S/C32H44N4O/c37-31 -21-20-24-27(18-13-19-28( 24)36-31)33-22-11-5-3-1-2 -4-6-12-23-34-32-25-14-7- 9-16-29(25)35-30-17-10-8- 15-26(30)32/h7,9,14,16,20 -21,27,33H,1-6,8,10-13,15 ,17-19,22-23H2,(H,34,35)( H,36,37)/t27-/m0/s1; ROTFGKJJMRTWBD-MHZLTWQESA-N |
c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C @H]4CCCC5=C4C=CC(=O)N5; c1ccc2c(c1)c(c3c (n2)CCCC3)NCCCCCCCCCCNC4CCCC5=C4C=CC(=O) N5; O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCC Nc3c4CCCCc4nc5ccccc35; O=C1C=CC2=C(N1)CC CC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4; O=C 1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNc3c4C CCCc4nc5ccccc35 |
(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE; (S)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE; (S)-TACRINE(10)-HUPYRIDONE |
| 13954 |  A2F CHEMBL580404 ZINC000001641355 |
3 | C5 H4 F N5 | InChI=1S/C5H4FN5/c6-5-10- 3(7)2-4(11-5)9-1-8-2/h1H, (H3,7,8,9,10,11); WKMPTBDYDNUJLF-UHFFFAOYSA-N |
Nc1nc(F)nc2nc[nH]c12; Fc1nc(c2c(n1)ncn2) N; c1[nH]c2c(nc(nc2n1)F)N |
2-fluoroadenine; 2-fluoro-7H-purin-6-amine |
| 13955 |  A2G CHEMBL1230702 DB03567 ZINC000002562219 |
0 | C8 H15 N O6 | InChI=1S/C8H15NO6/c1-3(11 )9-5-7(13)6(12)4(2-10)15- 8(5)14/h4-8,10,12-14H,2H2 ,1H3,(H,9,11)/t4-,5-,6+,7 -,8+/m1/s1; OVRNDRQMDRJTHS-CBQIKETKSA-N |
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1 O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[C H](O)[CH]1O; CC(=O)N[C@H]1[C@@H](O)O[C@H ](CO)[C@H](O)[C@@H]1O; O=C(NC1C(O)C(O)C( OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O |
2-acetamido-2-deoxy-alpha-D-galactopyranose; N-acetyl-alpha-D-galactosamine; 2-acetamido-2-deoxy-alpha-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE |
| 13956 |  A2H |
4 | C20 H22 B Cl N6 O9 P | InChI=1S/C20H24BClN6O9P/c 1-2-32-10-4-3-9(22)13-11( 5-23)35-21(14(10)13)36-16 -12(6-33-38(29,30)31)34-2 0(17(16)37-21)28-8-27-15- 18(24)25-7-26-19(15)28/h3 -4,7-8,11-12,16-17,20H,2, 5-6,23H2,1H3,(H2,24,25,26 )(H2,29,30,31)/q-1/p-2/t1 1-,12-,16-,17-,20-,21+/m1 /s1; QVHGEDIRODVXDV-RIMGRJFKSA-L |
[B-]12(c3c(ccc(c3C(O1)CN)Cl)OCC)OC4C(OC( C4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]; C COc1ccc(Cl)c2[C@@H](CN)O[B-]3(O[C@@H]4[C @@H](CO[P]([O-])([O-])=O)O[C@H]([C@@H]4O 3)n5cnc6c(N)ncnc56)c12; CCOc1ccc(Cl)c2[C H](CN)O[B-]3(O[CH]4[CH](CO[P]([O-])([O-] )=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)c12; [B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@ @H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6 N)COP(=O)([O-])[O-] |
4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine |
| 13957 |  A2I CHEMBL4079934 |
1 | C21 H21 N3 O2 S | InChI=1S/C21H21N3O2S/c1-1 5-11-16(2)23-21(22-15)27- 14-20(25)24-18-8-6-7-17(1 2-18)13-26-19-9-4-3-5-10- 19/h3-12H,13-14H2,1-2H3,( H,24,25); UTHZHWWWTOWRMG-UHFFFAOYSA-N |
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3 )C; Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccccc3 )c2)n1 |
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide |
| 13958 |  A2J CHEMBL1463512 ZINC000008873813 |
1 | C9 H5 F3 N2 O | InChI=1S/C9H5F3N2O/c10-9( 11,12)7-8(15)14-6-4-2-1-3 -5(6)13-7/h1-4H,(H,14,15); NOGLKXWLUDJZDQ-UHFFFAOYSA-N |
c21c(cccc1)NC(=O)C(=N2)C(F)(F)F; c1ccc2c (c1)NC(=O)C(=N2)C(F)(F)F; FC(F)(F)C1=Nc2 ccccc2NC1=O |
3-(trifluoromethyl)quinoxalin-2(1H)-one |
| 13959 |  A2K CHEMBL409661 ZINC000029060727 |
1 | C35 H37 N O2 | InChI=1S/C35H37NO2/c1-3-2 1-18-31-29-14-12-25-17-27 (37)13-15-28(25)32(29)30( 19-35(31,2)33(21)34(38)24 -10-11-24)23-8-6-22(7-9-2 3)26-5-4-16-36-20-26/h3-9 ,16-17,20-21,24,29-31,33H ,1,10-15,18-19H2,2H3/t21- ,29+,30-,31+,33-,35+/m1/s 1; AUWGCRAJBXNPNU-WWVPXYRRSA-N |
CC12CC(C3=C4CCC(=O)C=C4CCC3C1CC(C2C(=O)C 5CC5)C=C)c6ccc(cc6)c7cccnc7; C[C]12C[CH] (c3ccc(cc3)c4cccnc4)C5=C6CCC(=O)C=C6CC[C H]5[CH]1C[CH](C=C)[CH]2C(=O)C7CC7; C[C@] 12C[C@H](c3ccc(cc3)c4cccnc4)C5=C6CCC(=O) C=C6CC[C@H]5[C@@H]1C[C@@H](C=C)[C@@H]2C( =O)C7CC7; O=C(C1CC1)C6C(\C=C)CC7C3C(=C2C (=CC(=O)CC2)CC3)C(c5ccc(c4cccnc4)cc5)CC6 7C; C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@ H]3[C@@H]1C[C@H]([C@@H]2C(=O)C5CC5)C=C)c 6ccc(cc6)c7cccnc7 |
(8S,11R,13S,14S,16S,17S)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| 13960 |  A2L ZINC000058638478 |
0 | C13 H20 N5 O8 P | InChI=1S/C13H20N5O8P/c1-2 3-2-3-24-10-7(4-25-27(20, 21)22)26-13(9(10)19)18-6- 17-8-11(14)15-5-16-12(8)1 8/h5-7,9-10,13,19H,2-4H2, 1H3,(H2,14,15,16)(H2,20,2 1,22)/t7-,9-,10-,13-/m1/s 1; LISGIEGLNMXMPT-QYVSTXNMSA-N |
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O CCOC; COCCO[CH]1[CH](O)[CH](O[CH]1CO[P]( O)(O)=O)n2cnc3c(N)ncnc23; COCCO[C@@H]1[C @H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(= O)(O)O; COCCO[C@H]1[C@@H](O)[C@@H](O[C@@ H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23; COCCO C1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O |
3'-O-METHYOXYETHYL-ADENOSINE 5'-MONOPHOSPHATE |
| 13961 |  A2M CHEMBL1229561 |
2 | C11 H16 N5 O7 P | InChI=1S/C11H16N5O7P/c1-2 1-8-7(17)5(2-22-24(18,19) 20)23-11(8)16-4-15-6-9(12 )13-3-14-10(6)16/h3-5,7-8 ,11,17H,2H2,1H3,(H2,12,13 ,14)(H2,18,19,20)/t5-,7-, 8-,11-/m1/s1; TVGFEBXIZUYVFR-IOSLPCCCSA-N |
CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n 2cnc3c(N)ncnc23; O=P(O)(O)OCC3OC(n2cnc1c (ncnc12)N)C(OC)C3O; CO[C@@H]1[C@H](O)[C@ @H](CO[P](O)(O)=O)O[C@H]1n2cnc3c(N)ncnc2 3; COC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O )O; CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c 2ncnc3N)COP(=O)(O)O)O |
2'-O-methyladenosine 5'-(dihydrogen phosphate) |
| 13962 |  A2N ZINC000064746557 |
6 | C17 H26 N6 O14 P2 | InChI=1S/C17H26N6O14P2/c1 -6(24)22-9-11(25)7(36-17( 9)28)2-33-38(29,30)37-39( 31,32)34-3-8-12(26)13(27) 16(35-8)23-5-21-10-14(18) 19-4-20-15(10)23/h4-5,7-9 ,11-13,16-17,25-28H,2-3H2 ,1H3,(H,22,24)(H,29,30)(H ,31,32)(H2,18,19,20)/t7-, 8-,9-,11-,12-,13-,16-,17- /m1/s1; YKUBGMLROVEQHG-YUGVQSHHSA-N |
CC(=O)NC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC 2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O; CC(=O)N[ C@@H]1[C@@H]([C@H](O[C@H]1O)CO[P@](=O)(O )O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H] (O2)n3cnc4c3ncnc4N)O)O)O; CC(=O)N[C@H]1[ C@H](O)O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[ C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)n cnc34)[C@H]1O; O=C(NC1C(O)C(OC1O)COP(=O) (O)OP(=O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4 O)O)C; CC(=O)N[CH]1[CH](O)O[CH](CO[P](O) (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2 O)n3cnc4c(N)ncnc34)[CH]1O |
[(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate; 2'-N-Acetyl ADP ribose |
| 13963 |  A2O ZINC000008840605 |
1 | C19 H22 N2 O3 S | InChI=1S/C19H22N2O3S/c1-2 -12-21-18-10-9-17(13-16(1 8)8-11-19(21)22)20-25(23, 24)14-15-6-4-3-5-7-15/h3- 7,9-10,13,20H,2,8,11-12,1 4H2,1H3; WJJPXAGBDPXKEP-UHFFFAOYSA-N |
CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3ccccc3)c cc12; CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3 ccccc3; O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CCC )Cc3ccccc3 |
N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide |
| 13964 |  A2P CHEMBL1161861 DB02098 ZINC000004096223 |
60 | C10 H15 N5 O10 P2 | InChI=1S/C10H15N5O10P2/c1 1-8-5-9(13-2-12-8)15(3-14 -5)10-7(25-27(20,21)22)6( 16)4(24-10)1-23-26(17,18) 19/h2-4,6-7,10,16H,1H2,(H 2,11,12,13)(H2,17,18,19)( H2,20,21,22)/t4-,6-,7-,10 -/m1/s1; AEOBEOJCBAYXBA-KQYNXXCUSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O )=O)[C@@H](O)[C@H]3O[P](O)(O)=O; c1nc(c2 c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)OP(= O)(O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[ P](O)(O)=O)[CH](O)[CH]3O[P](O)(O)=O; O=P (O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O )O)C3O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([ C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O) N |
ADENOSINE-2'-5'-DIPHOSPHATE |
| 13965 |  A2Q CHEMBL1439332 ZINC000100004096 |
16 | C6 H8 O | InChI=1S/C6H8O/c7-6-4-2-1 -3-5-6/h2,4H,1,3,5H2; FWFSEYBSWVRWGL-UHFFFAOYSA-N |
C1CC=CC(=O)C1; O=C1CCCC=C1; O=C1C=CCCC1 | cyclohex-2-en-1-one; cyclohex-2-enone |
| 13966 |  A2R ZINC000044460250 |
19 | C15 H24 N5 O17 P3 | InChI=1S/C15H24N5O17P3/c1 6-12-7-13(18-3-17-12)20(4 -19-7)14-11(36-38(25,26)2 7)9(22)6(34-14)2-33-40(30 ,31)37-39(28,29)32-1-5-8( 21)10(23)15(24)35-5/h3-6, 8-11,14-15,21-24H,1-2H2,( H,28,29)(H,30,31)(H2,16,1 7,18)(H2,25,26,27)/t5-,6- ,8-,9-,10-,11-,14-,15-/m1 /s1; ICNHOLCERMYLRZ-KEOHHSTQSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O [P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[ CH](O)[CH]3O[P](O)(O)=O; c1nc(c2c(n1)n(c n2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](= O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([ C@@H](O4)O)O)O)O)OP(=O)(O)O)N; O=P(O)(O) OC3C(O)C(OC3n1c2ncnc(N)c2nc1)COP(=O)(O)O P(=O)(O)OCC4OC(O)C(O)C4O; c1nc(c2c(n1)n( cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C( C(C(O4)O)O)O)O)OP(=O)(O)O)N; Nc1ncnc2n(c nc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O )(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O) [C@@H](O)[C@H]3O[P](O)(O)=O |
[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE |
| 13967 |  A2T CHEMBL1230705 ZINC000038528081 |
2 | C35 H48 N4 O | InChI=1S/C35H48N4O/c1-5-6 -7-8-29-9-13-31(14-10-29) 35(40)39(34-20-25-38(26-2 1-34)24-19-28(2)3)27-30-1 1-15-32(16-12-30)37(4)33- 17-22-36-23-18-33/h9-18,2 2-23,28,34H,5-8,19-21,24- 27H2,1-4H3; WRFRQUOWNCJODU-UHFFFAOYSA-N |
CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3c cncc3)C4CCN(CCC(C)C)CC4; CCCCCc1ccc(cc1) C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4 )CCC(C)C; O=C(c1ccc(cc1)CCCCC)N(C2CCN(CC C(C)C)CC2)Cc4ccc(N(c3ccncc3)C)cc4 |
N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE |
| 13968 |  A2U |
1 | C23 H40 N7 O16 P3 S | InChI=1S/C23H40N7O16P3S/c 1-4-50-8-7-25-14(31)5-6-2 6-21(34)18(33)23(2,3)10-4 3-49(40,41)46-48(38,39)42 -9-13-17(45-47(35,36)37)1 6(32)22(44-13)30-12-29-15 -19(24)27-11-28-20(15)30/ h11-13,16-18,22,32-33H,4- 10H2,1-3H3,(H,25,31)(H,26 ,34)(H,38,39)(H,40,41)(H2 ,24,27,28)(H2,35,36,37)/t 13-,16-,17-,18+,22+/m1/s1; YGTAAWZKDDQUQN-RJFKWGFDSA-N |
CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O) (O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](O 1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCSCCNC (=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; CCSCCNC( =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; CCSCCNC(=O)CCNC( =O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O |
S-Ethyl-CoA |
| 13969 |  A2V |
1 | C20 H22 F2 N2 O3 S | InChI=1S/C20H22F2N2O3S/c1 -3-8-24-19-6-5-16(11-15(1 9)4-7-20(24)25)23-28(26,2 7)12-14-9-17(21)13(2)18(2 2)10-14/h5-6,9-11,23H,3-4 ,7-8,12H2,1-2H3; XZSGULACVTVKML-UHFFFAOYSA-N |
CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3cc(F)c(C )c(F)c3)ccc12; CCCN1c2ccc(cc2CCC1=O)NS(= O)(=O)Cc3cc(c(c(c3)F)C)F; c1(cc(F)c(C)c( c1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O |
1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide; AMF2beta |
| 13970 |  A2W CHEMBL4087790 |
1 | C19 H15 F N4 | InChI=1S/C19H15FN4/c20-17 -8-6-15(7-9-17)19-16(12-2 3-11-10-21-14-23)13-24(22 -19)18-4-2-1-3-5-18/h1-11 ,13-14H,12H2; KWPMFVYWNXVKNC-UHFFFAOYSA-N |
c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4 ; Fc1ccc(cc1)c2nn(cc2Cn3ccnc3)c4ccccc4 |
3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole |
| 13971 |  A2X CHEMBL4476189 |
1 | C20 H19 N3 O S2 | InChI=1S/C20H19N3OS2/c1-1 4-12-15(2)22-20(21-14)25- 13-19(24)23-16-8-10-18(11 -9-16)26-17-6-4-3-5-7-17/ h3-12H,13H2,1-2H3,(H,23,2 4); KOUOSAPHOUALKH-UHFFFAOYSA-N |
Cc1cc(C)nc(SCC(=O)Nc2ccc(Sc3ccccc3)cc2)n 1; Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3cccc c3)C |
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide |
| 13972 |  A2Y |
1 | C18 H23 N2 O S | InChI=1S/C18H22N2OS/c1-2- 17(22-3-1)16-7-15(20-21-1 6)11-19-18-8-12-4-13(9-18 )6-14(5-12)10-18/h1-3,7,1 2-14,19H,4-6,8-11H2/p+1/t 12-,13+,14-,18-; PBZWFIHUWUZQDJ-WXZYKRPKSA-O |
c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC( C5)C4; n2oc(c1sccc1)cc2C[NH2+]C45CC3CC(C C(C3)C4)C5; C([NH2+]C12CC3CC(CC(C3)C1)C2 )c4cc(on4)c5sccc5 |
(3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium |
| 13973 |  A2Z CHEMBL492763 ZINC000045506538 |
4 | C12 H11 N O3 | InChI=1S/C12H11NO3/c1-7-5 -10(14)13(2)11-8(7)3-4-9- 12(11)16-6-15-9/h3-5H,6H2 ,1-2H3; FEMZVADPTYXZIF-UHFFFAOYSA-N |
CN1C(=O)C=C(C)c2ccc3OCOc3c12; CC1=CC(=O) N(c2c1ccc3c2OCO3)C; O=C1C=C(c3c(N1C)c2OC Oc2cc3)C |
6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one |
| 13974 |  A30 ZINC000001676579 |
0 | C11 H15 N O3 | InChI=1S/C11H15NO3/c1-2-1 5-9-5-3-8(4-6-9)7-10(12)1 1(13)14/h3-6,10H,2,7,12H2 ,1H3,(H,13,14)/t10-/m0/s1; RMYPEYHEPIZYDJ-JTQLQIEISA-N |
CCOc1ccc(cc1)C[C@@H](C(=O)O)N; CCOc1ccc( C[CH](N)C(O)=O)cc1; CCOc1ccc(C[C@H](N)C( O)=O)cc1; CCOc1ccc(cc1)CC(C(=O)O)N; CCOc 1ccc(cc1)CC(N)C(=O)O |
O-ethyl-L-tyrosine |
| 13975 |  A31 |
1 | C44 H76 N6 O8 S | InChI=1S/C44H76N6O8S/c51- 38(13-6-5-12-37-41-36(32- 59-37)49-43(55)50-41)46-1 8-10-20-56-22-24-58-25-23 -57-21-11-19-47-40(53)15- 9-14-39(52)45-16-7-3-1-2- 4-8-17-48-42(54)44-29-33- 26-34(30-44)28-35(27-33)3 1-44/h33-37,41H,1-32H2,(H ,45,52)(H,46,51)(H,47,53) (H,48,54)(H2,49,50,55)/t3 3-,34+,35-,36-,37-,41-,44 -/m0/s1; HRVLISBOPSEFOL-ROOKXUDOSA-N |
O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCOC COCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)[C] 34C[CH]5[CH2]C([CH2][CH](C5)C3)C4; O=C1N C2C(SCC2N1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O) CCCC(=O)NCCCCCCCCNC(=O)C35CC4CC(C3)CC(C4 )C5; C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)N CCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(= O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2; O=C(CCC C[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCOCCO CCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)[C]34 C[CH]5[CH2]C([CH2][CH](C5)C3)C4; C1C2CC3 CC1CC(C2)(C3)C(=O)NCCCCCCCCNC(=O)CCCC(=O )NCCCOCCOCCOCCCNC(=O)CCCCC4C5C(CS4)NC(=O )N5 |
N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide |
| 13976 |  A32 ZINC000033821174 |
23 | C20 H29 N3 O10 | InChI=1S/C20H29N3O10/c24- 11-15-16(25)17(26)18(27)2 0(33-15)32-14-9-12(8-13(1 0-14)23(29)30)19(28)21-2- 1-3-22-4-6-31-7-5-22/h8-1 0,15-18,20,24-27H,1-7,11H 2,(H,21,28)/t15-,16+,17+, 18-,20+/m1/s1; CBPMHEKCQNCVNT-QTVCLEQKSA-N |
c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C @H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3C COCC3; OC[C@H]1O[C@H](Oc2cc(cc(c2)[N+]([ O-])=O)C(=O)NCCCN3CCOCC3)[C@H](O)[C@@H]( O)[C@H]1O; c1c(cc(cc1[N+](=O)[O-])OC2C(C (C(C(O2)CO)O)O)O)C(=O)NCCCN3CCOCC3; OC[C H]1O[CH](Oc2cc(cc(c2)[N+]([O-])=O)C(=O)N CCCN3CCOCC3)[CH](O)[CH](O)[CH]1O; [O-][N +](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O) NCCCN2CCOCC2)c3 |
(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE; BMSC-0010 |
| 13977 |  A33 CHEMBL1187596 |
2 | C6 H9 N O6 | InChI=1S/C6H9NO6/c7-6(5(1 2)13,1-3(8)9)2-4(10)11/h1 -2,7H2,(H,8,9)(H,10,11)(H ,12,13); ZJBWCVAEGNLETQ-UHFFFAOYSA-N |
C(C(=O)O)C(CC(=O)O)(C(=O)O)N; NC(CC(O)=O )(CC(O)=O)C(O)=O; O=C(O)CC(N)(C(=O)O)CC( =O)O |
2-(carboxymethyl)-D-aspartic acid |
| 13978 |  A34 |
0 | C11 H16 N5 O6 P | InChI=1/C11H16N5O6P/c1-12 -10-9-11(14-4-13-10)16(5- 15-9)8-2-6(17)7(22-8)3-21 -23(18,19)20/h4-8,17H,2-3 H2,1H3,(H,12,13,14)(H2,18 ,19,20)/t6-,7+,8+/m0/s1/f /h12,18-19H; MGKYNCZAQIZDCV-KRXJAMNADT |
CNc1c2c(ncn1)n(cn2)C3CC(C(O3)COP(=O)(O)O )O; CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](C O[P](O)(O)=O)O3; CNc1c2c(ncn1)n(cn2)[C@H ]3C[C@@H]([C@H](O3)COP(=O)(O)O)O; CNc1nc nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O )(O)=O)O3; O=P(O)(O)OCC3OC(n2cnc1c(ncnc1 2)NC)CC3O |
N6-METHYL DEOXYADENOSINE 5'-MONOPHOSPHATE |
| 13979 |  A35 |
0 | C11 H17 N6 O6 P | InChI=1/C11H17N6O6P/c1-13 -11-15-9(12)8-10(16-11)17 (4-14-8)7-2-5(18)6(23-7)3 -22-24(19,20)21/h4-7,18H, 2-3H2,1H3,(H2,19,20,21)(H 3,12,13,15,16)/t5-,6+,7+/ m0/s1/f/h13,19-20H,12H2; CADXCCUKYVHUJO-PKKBXXIYDN |
CNc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO[ P](O)(O)=O)O3)c2n1; CNc1nc(c2c(n1)n(cn2) [C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N; CNc1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O) O)O)N; CNc1nc(N)c2ncn([CH]3C[CH](O)[CH]( CO[P](O)(O)=O)O3)c2n1; O=P(O)(O)OCC3OC(n 2cnc1c(nc(nc12)NC)N)CC3O |
2-AMINO DEOXYADENOSINE 5'-MONOPHOSPHATE |
| 13980 |  A36 CHEMBL3087807 |
2 | C13 H21 F N2 O2 S | InChI=1S/C13H21FN2O2S/c1- 3-16(4-2)10-9-15-19(17,18 )11-12-5-7-13(14)8-6-12/h 5-8,15H,3-4,9-11H2,1-2H3; UKOZIEJMLUYTMK-UHFFFAOYSA-N |
Fc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC; CCN(CC) CCNS(=O)(=O)Cc1ccc(cc1)F; CCN(CC)CCN[S]( =O)(=O)Cc1ccc(F)cc1 |
N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide |
| 13981 |  A37 CHEMBL207095 DB07312 ZINC000036241914 |
4 | C13 H7 Cl3 N2 O3 S | InChI=1S/C13H7Cl3N2O3S/c1 4-7-2-4-11-10(5-7)17-13(2 1-11)18-22(19,20)12-6-8(1 5)1-3-9(12)16/h1-6H,(H,17 ,18); JCXZHFCBNFFHRC-UHFFFAOYSA-N |
Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(Cl)ccc 3o2; c1cc2c(cc1Cl)nc(o2)NS(=O)(=O)c3cc(c cc3Cl)Cl; Clc1ccc2oc(N[S](=O)(=O)c3cc(Cl )ccc3Cl)nc2c1 |
2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE |
| 13982 |  A38 ZINC000058631678 |
0 | C10 H14 N5 O7 P | InChI=1S/C10H14N5O7P/c11- 8-7-9(13-3-12-8)15(10(17) 14-7)6-1-4(16)5(22-6)2-21 -23(18,19)20/h3-6,16H,1-2 H2,(H,14,17)(H2,11,12,13) (H2,18,19,20)/t4-,5+,6+/m 0/s1; QFGWDFAYOAGQDH-KVQBGUIXSA-N |
c1nc(c2c(n1)N(C(=O)N2)C3CC(C(O3)COP(=O)( O)O)O)N; c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C @@H]([C@H](O3)COP(=O)(O)O)O)N; O=C2Nc1c( ncnc1N2C3OC(C(O)C3)COP(=O)(O)O)N; Nc1ncn c2N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C (=O)Nc12; Nc1ncnc2N([C@H]3C[C@H](O)[C@@H ](CO[P](O)(O)=O)O3)C(=O)Nc12 |
8-OXY DEOXYADENOSINE-5'-MONOPHOSPHATE |
| 13983 |  A39 |
0 | C11 H16 N5 O7 P | InChI=1/C11H16N5O7P/c1-21 -8-7(17)5(2-22-24(18,19)2 0)23-11(8)16-4-15-6-9(12) 13-3-14-10(6)16/h3-5,7-8, 11,17H,2H2,1H3,(H2,12,13, 14)(H2,18,19,20)/t5-,7-,8 -,11-/m1/s1/f/h18-19H,12H 2; TVGFEBXIZUYVFR-XNALEWAGDG |
CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n 2cnc3c(N)ncnc23; O=P(O)(O)OCC3OC(n2cnc1c (ncnc12)N)C(OC)C3O; CO[C@@H]1[C@H](O)[C@ @H](CO[P](O)(O)=O)O[C@H]1n2cnc3c(N)ncnc2 3; COC1C(C(OC1n2cnc3c2ncnc3N)COP(=O)(O)O )O; CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c 2ncnc3N)COP(=O)(O)O)O |
2'-O-METHYL-ADENOSINE 5'-MONOPHOSPHATE |
| 13984 |  A3A ZINC000013538982 |
0 | C10 H14 N5 O6 P | InChI=1S/C10H14N5O6P/c11- 9-8-10(13-3-12-9)15(4-14- 8)7-1-5(16)6(21-7)2-20-22 (17,18)19/h3-7,16H,1-2H2, (H2,11,12,13)(H2,17,18,19 )/t5-,6+,7-/m0/s1; KHWCHTKSEGGWEX-XVMARJQXSA-N |
Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P]( O)(O)=O)O3; c1nc(c2c(n1)n(cn2)C3CC(C(O3) COP(=O)(O)O)O)N; c1nc(c2c(n1)n(cn2)[C@@H ]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N; Nc1n cnc2n(cnc12)[C@@H]3C[C@H](O)[C@@H](CO[P] (O)(O)=O)O3; O=P(O)(O)OCC3OC(n2cnc1c(ncn c12)N)CC3O |
2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-5'-PHOSPHATE |
| 13985 |  A3B DB01804 ZINC000002516281 |
3 | C4 H7 N O2 | InChI=1S/C4H7NO2/c1-2-3(5 )4(6)7/h2-3H,1,5H2,(H,6,7 )/t3-/m1/s1; RQVLGLPAZTUBKX-GSVOUGTGSA-N |
C=CC(C(=O)[O-])[NH3+]; [O-]C(=O)C(\C=C)[ NH3+]; [NH3+][C@H](C=C)C([O-])=O; C=C[C@ H](C(=O)[O-])[NH3+]; [NH3+][CH](C=C)C([O -])=O |
D-VINYLGLYCINE; 2-AMMONIOBUT-3-ENOATE; 2-AMINO-3-BUTENOATE |
| 13986 |  A3C ZINC000058661288 |
3 | C19 H37 N O7 P2 | InChI=1S/C19H37NO7P2/c1-1 5-7-8-17-18(2,3)10-6-11-1 9(17,4)16(15)9-12-20(5)13 -14-26-29(24,25)27-28(21, 22)23/h16-17H,1,6-14H2,2- 5H3,(H,24,25)(H2,21,22,23 )/t16-,17-,19+/m0/s1; ZYKKZQANNLZNRN-JENIJYKNSA-N |
CN(CCO[P](O)(=O)O[P](O)(O)=O)CC[C@H]1C(= C)CC[C@H]2C(C)(C)CCC[C@]12C; CN(CCO[P](O )(=O)O[P](O)(O)=O)CC[CH]1C(=C)CC[CH]2C(C )(C)CCC[C]12C; O=P(O)(O)OP(=O)(O)OCCN(C) CCC1C(=C)\CCC2C(CCCC12C)(C)C; CC1(CCCC2( C1CCC(=C)C2CCN(C)CCOP(=O)(O)OP(=O)(O)O)C )C; C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[ N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C |
2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate; 13-aza-13,14-dihydrocopalyl diphosphate |
| 13987 |  A3D DB03363 |
15 | C22 H28 N6 O14 P2 | InChI=1S/C22H28N6O14P2/c1 -10(29)11-3-2-4-27(5-11)2 1-17(32)15(30)12(40-21)6- 38-43(34,35)42-44(36,37)3 9-7-13-16(31)18(33)22(41- 13)28-9-26-14-19(23)24-8- 25-20(14)28/h2-5,8-9,12-1 3,15-18,21-22,30-33H,6-7H 2,1H3,(H3-,23,24,25,34,35 ,36,37)/t12-,13-,15-,16-, 17-,18-,21-,22-/m1/s1; KPVQNXLUPNWQHM-RBEMOOQDSA-N |
CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O -])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N) O)O)O)O; CC(=O)c1ccc[n+](c1)[C@@H]2O[C@H ](CO[P]([O-])(=O)O[P](O)(=O)OC[C@H]3O[C@ H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@ @H](O)[C@H]2O; CC(=O)c1ccc[n+](c1)[C@H]2 [C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@ ](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n 4cnc5c4ncnc5N)O)O)O)O; CC(=O)c1ccc[n+](c 1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)O C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc 45)[CH](O)[CH]2O |
3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE |
| 13988 |  A3E CHEMBL3971067 |
1 | C21 H26 N6 O | InChI=1S/C21H26N6O/c1-15( 2)27-14-20(24-25-27)19-11 -18(12-23-21(19)22)17-5-3 -16(4-6-17)13-26-7-9-28-1 0-8-26/h3-6,11-12,14-15H, 7-10,13H2,1-2H3,(H2,22,23 ); CFVWLNQPGCBNKV-UHFFFAOYSA-N |
CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CC OCC4; CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(CN4 CCOCC4)cc3 |
5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine |
| 13989 |  A3F CHEMBL1230714 ZINC000058638788 |
3 | C20 H20 N2 O4 | InChI=1S/C20H20N2O4/c1-24 -17-9-13(10-18(25-2)19(17 )26-3)16-8-14(11-22-20(16 )21)12-5-4-6-15(23)7-12/h 4-11,23H,1-3H3,(H2,21,22); CJLMANFTWLNAKC-UHFFFAOYSA-N |
COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)O ; COc1cc(cc(OC)c1OC)c2cc(cnc2N)c3cccc(O) c3; Oc3cccc(c2cnc(N)c(c1cc(OC)c(OC)c(OC) c1)c2)c3 |
3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol |
| 13990 |  A3G ZINC000058631680 |
12 | C12 H17 N7 O4 | InChI=1S/C12H17N7O4/c13-1 -6(21)18-7-5(2-20)23-12(9 (7)22)19-4-17-8-10(14)15- 3-16-11(8)19/h3-5,7,9,12, 20,22H,1-2,13H2,(H,18,21) (H2,14,15,16)/t5-,7-,9-,1 2-/m1/s1; XJJYXFHVLHMVGL-MUIQIWNUSA-N |
NCC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO )n2cnc3c(N)ncnc23; O=C(NC3C(OC(n2cnc1c(n cnc12)N)C3O)CO)CN; NCC(=O)N[CH]1[CH](O)[ CH](O[CH]1CO)n2cnc3c(N)ncnc23; c1nc(c2c( n1)n(cn2)C3C(C(C(O3)CO)NC(=O)CN)O)N; c1n c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H] (O3)CO)NC(=O)CN)O)N |
3'-deoxy-3'-(glycylamino)adenosine |
| 13991 |  A3H CHEMBL3969077 |
1 | C19 H16 N6 | InChI=1S/C19H16N6/c1-12-4 -3-5-13(8-12)15-9-17(22-1 6-6-7-25(2)24-16)23-19-18 (15)14(10-20)11-21-19/h3- 9,11H,1-2H3,(H2,21,22,23, 24); IQBHNQCIUDQGPV-UHFFFAOYSA-N |
Cn1ccc(Nc2cc(c3cccc(C)c3)c4c([nH]cc4C#N) n2)n1; Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N )Nc4ccn(n4)C |
4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
| 13992 |  A3I |
4 | C30 H43 N O5 | InChI=1S/C30H43NO5/c1-6-1 8-15-28(4)13-16(2)17(3)14 -30(28)26(35)24(27(36)31- 30)25(34)29(5)19(12-23(18 )33)10-11-20-21(29)8-7-9- 22(20)32/h10-11,13,17-23, 32-33,35H,6-9,12,14-15H2, 1-5H3,(H,31,36)/t17-,18+, 19-,20-,21+,22-,23+,28+,2 9+,30+/m0/s1; FVMMLTQICWHKRS-MPWKYZDUSA-N |
CC[C@@H]1C[C@]2(C=C([C@H](C[C@@]23C(=C(C (=O)[C@]4([C@@H]5CCC[C@@H]([C@H]5C=C[C@H ]4C[C@H]1O)O)C)C(=O)N3)O)C)C)C; CCC1CC2( C=C(C(CC23C(=C(C(=O)C4(C5CCCC(C5C=CC4CC1 O)O)C)C(=O)N3)O)C)C)C; CC[CH]1C[C]2(C)C= C(C)[CH](C)C[C]23NC(=O)C(=C3O)C(=O)[C]4( C)[CH](C[CH]1O)C=C[CH]5[CH](O)CCC[CH]45; CC[C@@H]1C[C@@]2(C)C=C(C)[C@@H](C)C[C@] 23NC(=O)C(=C3O)C(=O)[C@]4(C)[C@H](C[C@H] 1O)C=C[C@@H]5[C@@H](O)CCC[C@@H]45 |
(4S,4aS,6aR,8R,9R,10aS,13S,14aS,18aR,18bR,E)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,10a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)benzo[b]naphtho[2,1-h][1]azacyclododecine-16,18(1H,15H)-dione |
| 13993 |  A3J |
2 | C16 H17 F3 N4 O | InChI=1S/C16H17F3N4O/c1-3 -9-6-11-12(21-9)13(23-5-4 -15(2,24)8-23)10(7-20)14( 22-11)16(17,18)19/h6,21,2 4H,3-5,8H2,1-2H3/t15-/m0/ s1; PSWIJUOHBAWLCU-HNNXBMFYSA-N |
CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3C C[C@](C3)(C)O; CCc1[nH]c2c(c1)nc(c(C#N)c 2N3CC[C@](C)(O)C3)C(F)(F)F; N#Cc1c(c2nc( cc2nc1C(F)(F)F)CC)N3CCC(C)(C3)O; CCc1cc2 c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CCC(C3)( C)O; CCc1[nH]c2c(c1)nc(c(C#N)c2N3CC[C](C )(O)C3)C(F)(F)F |
2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile |
| 13994 |  A3K CHEMBL3961632 |
1 | C15 H12 N4 | InChI=1S/C15H12N4/c1-9-3- 2-4-10(5-9)12-6-13(17)19- 15-14(12)11(7-16)8-18-15/ h2-6,8H,1H3,(H3,17,18,19); KWTGXMXCSXFSJX-UHFFFAOYSA-N |
Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N; Cc1 cccc(c1)c2cc(N)nc3[nH]cc(C#N)c23 |
6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
| 13995 |  A3M CHEMBL383705 DB01884 ZINC000000007335 |
2 | C9 H18 N2 O | InChI=1S/C9H18N2O/c1-7(2) 8(10)9(12)11-5-3-4-6-11/h 7-8H,3-6,10H2,1-2H3/t8-/m 0/s1; IHBAVXVTGLANPI-QMMMGPOBSA-N |
CC(C)C(C(=O)N1CCCC1)N; O=C(N1CCCC1)C(N)C (C)C; CC(C)[C@@H](C(=O)N1CCCC1)N; CC(C)[ CH](N)C(=O)N1CCCC1; CC(C)[C@H](N)C(=O)N1 CCCC1 |
2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE |
| 13996 |  A3N CHEMBL2171184 ZINC000095553067 |
3 | C13 H16 N6 O3 | InChI=1S/C13H16N6O3/c1-2- 3-15-4-7-9(20)10(21)13(22 -7)19-6-18-8-11(14)16-5-1 7-12(8)19/h1,5-7,9-10,13, 15,20-21H,3-4H2,(H2,14,16 ,17)/t7-,9-,10-,13-/m1/s1; WYZJLWUBEMXBJJ-QYVSTXNMSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CNCC#C)[C@ @H](O)[C@H]3O; n2c1c(ncnc1n(c2)C3OC(C(O) C3O)CNCC#C)N; C#CCNCC1C(C(C(O1)n2cnc3c2n cnc3N)O)O; Nc1ncnc2n(cnc12)[CH]3O[CH](CN CC#C)[CH](O)[CH]3O; C#CCNC[C@@H]1[C@H]([ C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O |
5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine |
| 13997 |  A3O |
3 | C34 H34 N6 O5 | InChI=1S/C34H34N6O5/c1-21 -16-25(9-10-27(21)39-33-3 6-15-12-28(40-33)24-8-5-1 4-35-20-24)38-30(42)23-7- 4-6-22(17-23)19-37-31(43) 26-18-34(2,32(44)45-3)13- 11-29(26)41/h4-10,12,14-1 7,20,26H,11,13,18-19H2,1- 3H3,(H,37,43)(H,38,42)(H, 36,39,40)/t26-,34-/m1/s1; GREBBMSDFQCEIO-OOXUFLSTSA-N |
COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)NCc2cc cc(c2)C(=O)Nc3ccc(Nc4nccc(n4)c5cccnc5)c( C)c3; Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(= O)c4cccc(c4)CNC(=O)[C@@H]5C[C@](CCC5=O)( C)C(=O)OC; COC(=O)[C@]1(C)CCC(=O)[C@@H]( C1)C(=O)NCc2cccc(c2)C(=O)Nc3ccc(Nc4nccc( n4)c5cccnc5)c(C)c3; Cc1cc(ccc1Nc2nccc(n2 )c3cccnc3)NC(=O)c4cccc(c4)CNC(=O)C5CC(CC C5=O)(C)C(=O)OC |
methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate |
| 13998 |  A3P CHEMBL574817 DB01812 ZINC000004228234 |
225 | C10 H15 N5 O10 P2 | InChI=1S/C10H15N5O10P2/c1 1-8-5-9(13-2-12-8)15(3-14 -5)10-6(16)7(25-27(20,21) 22)4(24-10)1-23-26(17,18) 19/h2-4,6-7,10,16H,1H2,(H 2,11,12,13)(H2,17,18,19)( H2,20,21,22)/t4-,6-,7-,10 -/m1/s1; WHTCPDAXWFLDIH-KQYNXXCUSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O )[CH](O[P](O)(O)=O)[CH]3O; c1nc(c2c(n1)n (cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O )N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H ]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N; N c1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O) =O)[C@@H](O[P](O)(O)=O)[C@H]3O; O=P(O)(O )OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O) O |
ADENOSINE-3'-5'-DIPHOSPHATE |
| 13999 |  A3Q CHEMBL4068861 |
1 | C14 H9 N3 O | InChI=1S/C14H9N3O/c15-7-1 0-8-17-14-13(10)12(4-5-16 -14)9-2-1-3-11(18)6-9/h1- 6,8,18H,(H,16,17); NSJGIUMXLVXGPU-UHFFFAOYSA-N |
c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N; Oc1c ccc(c1)c2ccnc3[nH]cc(C#N)c23 |
4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile |
| 14000 |  A3R ZINC000049785398 |
8 | C15 H24 N6 O11 P2 | InChI=1S/C15H24N6O11P2/c1 6-13-10-14(19-5-18-13)21( 6-20-10)15-12(24)11(23)9( 31-15)4-30-34(27,28)32-33 (25,26)29-3-7-1-8(22)2-17 -7/h5-9,11-12,15,17,22-24 H,1-4H2,(H,25,26)(H,27,28 )(H2,16,18,19)/t7-,8+,9+, 11+,12+,15+/m0/s1; PHEYQOBMMIEFLO-IBCGMDAMSA-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]4C[C@H ](CN4)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH ](CO[P](O)(=O)O[P](O)(=O)OC[CH]4C[CH](O) CN4)[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)C3C (C(C(O3)COP(=O)(O)OP(=O)(O)OCC4CC(CN4)O) O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[ P](O)(=O)O[P](O)(=O)OC[C@@H]4C[C@@H](O)C N4)[C@@H](O)[C@H]3O |
Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol |
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