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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 15601 | A1EJI | 2 | C12 H14 B O5 | InChI=1S/C12H14BO5/c1-7(8 (2)12(14)15)11-9-5-3-4-6- 10(9)13(16,17)18-11/h3-7, 11,16-17H,2H2,1H3,(H,14,1 5)/q-1/t7-,11-/m1/s1; UMWWMWYMIMKAJG-RDDDGLTNSA-N |
C[CH]([CH]1O[B-](O)(O)c2ccccc12)C(=C)C(O )=O; C[C@@H]([C@H]1O[B-](O)(O)c2ccccc12) C(=C)C(O)=O; [B-]1(c2ccccc2[C@H](O1)[C@H ](C)C(=C)C(=O)O)(O)O; [B-]1(c2ccccc2C(O1 )C(C)C(=C)C(=O)O)(O)O |
(3~{R})-3-[(9~{R})-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-yl]-2-methylidene-butanoic acid |
| 15602 | A1EJJ | 1 | C16 H24 N4 O14 P2 | InChI=1S/C16H24N4O14P2/c1 7-15-9-8(19-4-20-15)5(1-1 8-9)14-12(23)10(21)6(32-1 4)2-30-35(26,27)34-36(28, 29)31-3-7-11(22)13(24)16( 25)33-7/h1,4,6-7,10-14,16 ,18,21-25H,2-3H2,(H,26,27 )(H,28,29)(H2,17,19,20)/t 6-,7-,10-,11-,12-,13-,14+ ,16+/m1/s1; OTAOKDBQHDLBAB-RXFQNIHHSA-N |
Nc1ncnc2c1[nH]cc2[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; c1c(c2c([nH]1) c(ncn2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O CC4C(C(C(O4)O)O)O)O)O; Nc1ncnc2c1[nH]cc2 [CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH] 4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O; c1 c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H] ([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C @H]([C@H]([C@H](O4)O)O)O)O)O |
[[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-5~{H}-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 15603 | A1EJM | 1 | C22 H37 N O7 S | InChI=1S/C22H37NO7S/c1-2- 3-4-5-6-7-8-9-10-11-12-13 -14-15-16-17-21(25)30-23- 20(24)18-19(22(23)26)31(2 7,28)29/h9-10,19H,2-8,11- 18H2,1H3,(H,27,28,29)/b10 -9-; LFZDKQJJMZRWMV-KTKRTIGZSA-N |
CCCCCCCCC=CCCCCCCCC(=O)ON1C(=O)CC(C1=O)[ S](O)(=O)=O; CCCCCCCC/C=C\CCCCCCCC(=O)ON 1C(=O)CC(C1=O)S(=O)(=O)O; CCCCCCCCC=CCCC CCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O; CCC CCCCC\C=C/CCCCCCCC(=O)ON1C(=O)CC(C1=O)[S ](O)(=O)=O |
1-[(~{Z})-octadec-9-enoyl]oxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid |
| 15604 | A1EJN | 2 | C27 H46 N3 O4 | InChI=1S/C27H46N3O4/c1-24 -28(2)22-23-29(24)21-17-1 5-13-11-9-7-5-3-4-6-8-10- 12-14-16-18-27(33)34-30-2 5(31)19-20-26(30)32/h22-2 3H,3-21H2,1-2H3/q+1; AFNGCQCZVRYKKN-UHFFFAOYSA-N |
Cc1n(cc[n+]1CCCCCCCCCCCCCCCCCC(=O)ON2C(= O)CCC2=O)C; Cn1cc[n+](CCCCCCCCCCCCCCCCCC (=O)ON2C(=O)CCC2=O)c1C |
[2,6-bis(oxidanylidene)piperidin-1-yl] 18-(2,3-dimethylimidazol-1-ium-1-yl)octadecanoate |
| 15605 | A1EJO | 1 | C20 H24 N6 S | InChI=1S/C20H24N6S/c1-6-1 1(2)19-24-13-9-12(7-8-14( 13)27-19)16-15-17(21)22-1 0-23-18(15)26(25-16)20(3, 4)5/h7-11H,6H2,1-5H3,(H2, 21,22,23)/t11-/m0/s1; TXNZKZSBYAOTIW-NSHDSACASA-N |
CC[C@H](C)c1nc2cc(ccc2s1)c3c4c(ncnc4n(n3 )C(C)(C)C)N; CCC(C)c1nc2cc(ccc2s1)c3c4c( ncnc4n(n3)C(C)(C)C)N; CC[C@H](C)c1sc2ccc (cc2n1)c3nn(c4ncnc(N)c34)C(C)(C)C; CC[CH ](C)c1sc2ccc(cc2n1)c3nn(c4ncnc(N)c34)C(C )(C)C |
3-[2-[(2~{S})-butan-2-yl]-1,3-benzothiazol-5-yl]-1-~{tert}-butyl-pyrazolo[3,4-d]pyrimidin-4-amine |
| 15606 | A1EJP | 4 | C20 H24 N6 S | InChI=1S/C20H24N6S/c1-6-1 1(2)19-24-13-9-12(7-8-14( 13)27-19)16-15-17(21)22-1 0-23-18(15)26(25-16)20(3, 4)5/h7-11H,6H2,1-5H3,(H2, 21,22,23)/t11-/m1/s1; TXNZKZSBYAOTIW-LLVKDONJSA-N |
CC[C@@H](C)c1sc2ccc(cc2n1)c3nn(c4ncnc(N) c34)C(C)(C)C; CCC(C)c1nc2cc(ccc2s1)c3c4c (ncnc4n(n3)C(C)(C)C)N; CC[C@@H](C)c1nc2c c(ccc2s1)c3c4c(ncnc4n(n3)C(C)(C)C)N; CC[ CH](C)c1sc2ccc(cc2n1)c3nn(c4ncnc(N)c34)C (C)(C)C |
3-[2-[(2~{R})-butan-2-yl]-1,3-benzothiazol-5-yl]-1-~{tert}-butyl-pyrazolo[3,4-d]pyrimidin-4-amine |
| 15607 | A1EJQ | 2 | C12 H14 O3 | InChI=1S/C12H14O3/c1-3-14 -11(13)10-12(2,15-10)9-7- 5-4-6-8-9/h4-8,10H,3H2,1- 2H3/t10-,12-/m0/s1; LQKRYVGRPXFFAV-JQWIXIFHSA-N |
CCOC(=O)C1C(O1)(C)c2ccccc2; CCOC(=O)[CH] 1O[C]1(C)c2ccccc2; CCOC(=O)[C@H]1[C@](O1 )(C)c2ccccc2; CCOC(=O)[C@@H]1O[C@@]1(C)c 2ccccc2 |
ethyl (2~{R},3~{S})-3-methyl-3-phenyl-oxirane-2-carboxylate; Ethyl methylphenylglycidate, (E)-; trans-Ethyl 3-Methyl-3-phenylglycidate |
| 15608 | A1EJR | 0 | C36 H38 Br N5 O8 | InChI=1S/C36H38BrN5O8/c1- 21-15-24(33(28(37)16-21)5 0-20-32(44)45)11-10-22-6- 8-23(9-7-22)17-26(19-31(4 3)39-2)40-34(46)25-12-13- 27-30(18-25)41-42(35(27)4 7)14-4-3-5-29(38)36(48)49 /h6-9,12-13,15-16,18,26,2 9,41H,3-5,14,17,19-20,38H 2,1-2H3,(H,39,43)(H,40,46 )(H,44,45)(H,48,49)/t26-, 29+/m1/s1; MYHCFJZZMJPMDZ-UHSQPCAPSA-N |
Cc1cc(c(c(c1)Br)OCC(=O)O)C#Cc2ccc(cc2)CC (CC(=O)NC)NC(=O)c3ccc4c(c3)NN(C4=O)CCCCC (C(=O)O)N; Cc1cc(c(c(c1)Br)OCC(=O)O)C#Cc 2ccc(cc2)C[C@H](CC(=O)NC)NC(=O)c3ccc4c(c 3)NN(C4=O)CCCC[C@@H](C(=O)O)N; CNC(=O)C[ CH](Cc1ccc(cc1)C#Cc2cc(C)cc(Br)c2OCC(O)= O)NC(=O)c3ccc4c(NN(CCCC[CH](N)C(O)=O)C4= O)c3; CNC(=O)C[C@@H](Cc1ccc(cc1)C#Cc2cc( C)cc(Br)c2OCC(O)=O)NC(=O)c3ccc4c(NN(CCCC [C@H](N)C(O)=O)C4=O)c3 |
(2S)-2-azanyl-6-[6-[[(2R)-1-[4-[2-[3-bromanyl-2-(2-hydroxy-2-oxoethyloxy)-5-methyl-phenyl]ethynyl]phenyl]-4-(methylamino)-4-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanylidene-1H-indazol-2-yl]hexanoic acid |
| 15609 | A1EJS | 0 | C33 H34 F N9 O6 | InChI=1S/C33H34FN9O6/c1-4 3-13-12-37-30(43)19-7-5-6 -18(14-19)16-38-33-39-17- 24(29(42-33)41-23-15-20(3 4)9-10-21(23)32(48)49-2)4 0-26-25(27(44)28(26)45)36 -11-4-3-8-22(35)31(46)47/ h5-7,9-10,12-15,17,22,36, 40H,3-4,8,11,16,35H2,1-2H 3,(H,46,47)(H2,38,39,41,4 2)/t22-/m0/s1; WBHWAJOSOYMMBR-QFIPXVFZSA-N |
COC(=O)c1ccc(F)cc1Nc2nc(NCc3cccc(c3)c4nc cn4C)ncc2NC5=C(NCCCC[CH](N)C(O)=O)C(=O)C 5=O; Cn1ccnc1c2cccc(c2)CNc3ncc(c(n3)Nc4c c(ccc4C(=O)OC)F)NC5=C(C(=O)C5=O)NCCCC[C@ @H](C(=O)O)N; Cn1ccnc1c2cccc(c2)CNc3ncc( c(n3)Nc4cc(ccc4C(=O)OC)F)NC5=C(C(=O)C5=O )NCCCCC(C(=O)O)N; COC(=O)c1ccc(F)cc1Nc2n c(NCc3cccc(c3)c4nccn4C)ncc2NC5=C(NCCCC[C @H](N)C(O)=O)C(=O)C5=O |
(2S)-2-azanyl-6-[[2-[[4-[(5-fluoranyl-2-methoxycarbonyl-phenyl)amino]-2-[[3-(1-methylimidazol-2-yl)phenyl]methylamino]pyrimidin-5-yl]amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]hexanoic acid |
| 15610 | A1EJT | 0 | C21 H35 N7 O15 P2 | InChI=1S/C21H35N7O15P2/c2 2-10(21(34)35)3-1-2-4-24- 5-11(29)15(31)12(30)6-40- 44(36,37)43-45(38,39)41-7 -13-16(32)17(33)20(42-13) 28-9-27-14-18(23)25-8-26- 19(14)28/h5,8-13,15-17,20 ,29-33H,1-4,6-7,22H2,(H,3 4,35)(H,36,37)(H,38,39)(H 2,23,25,26)/b24-5+/t10-,1 1-,12+,13+,15-,16+,17+,20 +/m0/s1; TWCZUHNBLKYDPP-OMGOSZEYSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OCC(C(C(C=NCCCCC(C(=O)O)N)O)O)O) O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C @@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H] ([C@H]([C@H](/C=N/CCCC[C@@H](C(=O)O)N)O) O)O)O)O)N; N[C@@H](CCCCN=C[C@H](O)[C@H]( O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H] 1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc2 3)C(O)=O; N[CH](CCCCN=C[CH](O)[CH](O)[CH ](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]( [CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O |
(2~{S})-6-[(~{E})-[(2~{S},3~{S},4~{R})-5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentylidene]amino]-2-azanyl-hexanoic acid |
| 15611 | A1EJU | 2 | C16 H12 F N5 O2 | InChI=1S/C16H12FN5O2/c1-2 4-10-4-5-19-15-11(12(18)1 6(23)21-14(10)15)7-2-3-9( 17)13-8(7)6-20-22-13/h2-6 H,18H2,1H3,(H,20,22)(H,21 ,23); CMDVDQKZWRQICJ-UHFFFAOYSA-N |
COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc3 4)N; COc1ccnc2c1NC(=O)C(=C2c3ccc(c4c3c[n H]n4)F)N |
3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one |
| 15612 | A1EJV | 2 | C15 H9 Cl F N5 O | InChI=1S/C15H9ClFN5O/c16- 6-3-10-14(19-4-6)11(12(18 )15(23)21-10)7-1-2-9(17)1 3-8(7)5-20-22-13/h1-5H,18 H2,(H,20,22)(H,21,23); MKTDTVNSMKCRFX-UHFFFAOYSA-N |
NC1=C(c2ccc(F)c3[nH]ncc23)c4ncc(Cl)cc4NC 1=O; c1cc(c2c(c1C3=C(C(=O)Nc4c3ncc(c4)Cl )N)cn[nH]2)F |
3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one |
| 15613 | A1EJW | 2 | C15 H12 Cl N3 O2 | InChI=1S/C15H12ClN3O2/c1- 7-2-3-9(20)5-10(7)12-13(1 7)15(21)19-11-4-8(16)6-18 -14(11)12/h2-6,20H,17H2,1 H3,(H,19,21); HOEBQLINEIJNTI-UHFFFAOYSA-N |
Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23; Cc1ccc(cc1C2=C(C(=O)Nc3c2ncc(c3)Cl)N)O |
3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one |
| 15614 | A1EJX | 2 | C24 H19 F N6 O2 | InChI=1S/C24H19FN6O2/c1-3 1(2)24(33)13-5-3-12(4-6-1 3)14-9-18-22(27-10-14)19( 20(26)23(32)29-18)15-7-8- 17(25)21-16(15)11-28-30-2 1/h3-11H,26H2,1-2H3,(H,28 ,30)(H,29,32); GQHFJDVSIFLECJ-UHFFFAOYSA-N |
CN(C)C(=O)c1ccc(cc1)c2cc3c(nc2)C(=C(C(=O )N3)N)c4ccc(c5c4cn[nH]5)F; CN(C)C(=O)c1c cc(cc1)c2cnc3c(NC(=O)C(=C3c4ccc(F)c5[nH] ncc45)N)c2 |
4-[7-azanyl-8-(7-fluoranyl-1H-indazol-4-yl)-6-oxidanylidene-5H-1,5-naphthyridin-3-yl]-N,N-dimethyl-benzamide |
| 15615 | A1EJZ | 0 | C14 H27 N3 O7 | InChI=1S/C14H27N3O7/c1-8( 19)17-10(12(21)13(22)11(2 0)7-18)6-16-5-3-2-4-9(15) 14(23)24/h6,9-13,18,20-22 H,2-5,7,15H2,1H3,(H,17,19 )(H,23,24)/b16-6+/t9-,10- ,11+,12+,13-/m0/s1; MFLCFYZVLUCMGR-NMFZIWDOSA-N |
CC(=O)N[CH](C=NCCCC[CH](N)C(O)=O)[CH](O) [CH](O)[CH](O)CO; CC(=O)N[C@@H](/C=N/CCC C[C@@H](C(=O)O)N)[C@H]([C@H]([C@@H](CO)O )O)O; CC(=O)NC(C=NCCCCC(C(=O)O)N)C(C(C(C O)O)O)O; CC(=O)N[C@@H](C=NCCCC[C@H](N)C( O)=O)[C@@H](O)[C@@H](O)[C@H](O)CO |
(2~{S})-6-[(~{E})-[(2~{S},3~{R},4~{R},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexylidene]amino]-2-azanyl-hexanoic acid |
| 15616 | A1EK0 CHEMBL4071161 DB15227 |
1 | C25 H22 N6 O3 | InChI=1S/C25H22N6O3/c1-2- 6-21(32)29-14-13-18(15-29 )31-24-22(23(26)27-16-28- 24)30(25(31)33)17-9-11-20 (12-10-17)34-19-7-4-3-5-8 -19/h3-5,7-12,16,18H,13-1 5H2,1H3,(H2,26,27,28)/t18 -/m1/s1; SEJLPXCPMNSRAM-GOSISDBHSA-N |
CC#CC(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C 2=O)c4ccc(cc4)Oc5ccccc5; CC#CC(=O)N1CCC( C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5cc ccc5; CC#CC(=O)N1CC[CH](C1)N2C(=O)N(c3cc c(Oc4ccccc4)cc3)c5c(N)ncnc25; CC#CC(=O)N 1CC[C@H](C1)N2C(=O)N(c3ccc(Oc4ccccc4)cc3 )c5c(N)ncnc25 |
Tirabrutinib; Btk Kinase inhibitor |
| 15617 | A1EK3 | 5 | C25 H29 N7 O4 S | InChI=1S/C25H29N7O4S/c1-1 5-10-19(14-26-11-15)24-29 -30-25(32(24)22-20(35-5)8 -7-9-21(22)36-6)31-37(33, 34)18(4)17(3)23-27-12-16( 2)13-28-23/h7-14,17-18H,1 -6H3,(H,30,31)/t17-,18-/m 0/s1; DOMQFIFVDIAOOT-ROUUACIJSA-N |
COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH ](C)c3ncc(C)cn3)nnc2c4cncc(C)c4; Cc1cc(c nc1)c2nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)[C@ @H](C)[C@H](C)c4ncc(cn4)C; Cc1cc(cnc1)c2 nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)C(C)C(C)c 4ncc(cn4)C; COc1cccc(OC)c1n2c(N[S](=O)(= O)[C@@H](C)[C@H](C)c3ncc(C)cn3)nnc2c4cnc c(C)c4 |
Azelaprag |
| 15618 | A1EK4 | 1 | C29 H23 Cl2 F N8 O4 S | InChI=1S/C29H23Cl2FN8O4S/ c1-38-12-16-8-23(20(31)9- 22(16)37-38)35-27-36-28(4 2)40(13-15-3-2-6-34-26(15 )41)29(43)39(27)14-17-7-1 9(30)21(32)10-24(17)44-25 -5-4-18(11-33)45-25/h2-10 ,12H,11,13-14,33H2,1H3,(H ,34,41)(H,35,36,42); ILCULUPLVYBALS-UHFFFAOYSA-N |
Cn1cc2cc(N=C3NC(=O)N(CC4=CC=CNC4=O)C(=O) N3Cc5cc(Cl)c(F)cc5Oc6sc(CN)cc6)c(Cl)cc2n 1; Cn1cc2cc(c(cc2n1)Cl)N=C3NC(=O)N(C(=O) N3Cc4cc(c(cc4Oc5ccc(s5)CN)F)Cl)CC6=CC=CN C6=O; Cn1cc2cc(c(cc2n1)Cl)/N=C/3\NC(=O)N (C(=O)N3Cc4cc(c(cc4Oc5ccc(s5)CN)F)Cl)CC6 =CC=CNC6=O |
1-[[2-[5-(aminomethyl)thiophen-2-yl]oxy-5-chloranyl-4-fluoranyl-phenyl]methylidene]-6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(2-oxidanylidene-1~{H}-pyridin-3-yl)methyl]-1$l^{4},3,5-triazinane-2,4-dione |
| 15619 | A1EK5 CHEMBL134519 |
2 | C11 H16 I N O2 | InChI=1S/C11H16INO2/c1-7( 13)4-8-5-11(15-3)9(12)6-1 0(8)14-2/h5-7H,4,13H2,1-3 H3/t7-/m1/s1; BGMZUEKZENQUJY-SSDOTTSWSA-N |
COc1cc(C[C@@H](C)N)c(OC)cc1I; C[C@H](Cc1 cc(c(cc1OC)I)OC)N; CC(Cc1cc(c(cc1OC)I)OC )N; COc1cc(C[CH](C)N)c(OC)cc1I |
(2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)propan-2-amine |
| 15620 | A1EK8 CHEMBL433696 |
1 | C13 H21 N O2 | InChI=1S/C13H21NO2/c1-5-1 1(14)7-10-8-12(15-3)9(2)6 -13(10)16-4/h6,8,11H,5,7, 14H2,1-4H3/t11-/m1/s1; MLYCFWZIAJAIGW-LLVKDONJSA-N |
CC[C@@H](N)Cc1cc(OC)c(C)cc1OC; CC[C@H](C c1cc(c(cc1OC)C)OC)N; CCC(Cc1cc(c(cc1OC)C )OC)N; CC[CH](N)Cc1cc(OC)c(C)cc1OC |
(2~{R})-1-(2,5-dimethoxy-4-methyl-phenyl)butan-2-amine |
| 15621 | A1EKA | 1 | C17 H16 Cl N3 O2 S | InChI=1S/C17H16ClN3O2S/c1 8-12-7-8-13-16(11-12)24(2 2,23)20-17(13)19-14-5-1-2 -6-15(14)21-9-3-4-10-21/h 1-2,5-8,11H,3-4,9-10H2,(H ,19,20); LREBZGRACAYBHK-UHFFFAOYSA-N |
Clc1ccc2C(=N[S](=O)(=O)c2c1)Nc3ccccc3N4C CCC4; c1ccc(c(c1)NC2=NS(=O)(=O)c3c2ccc(c 3)Cl)N4CCCC4 |
6-chloranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine |
| 15622 | A1EKB | 1 | C17 H15 F2 N3 O2 S | InChI=1S/C17H15F2N3O2S/c1 8-11-5-4-8-14-15(11)17(21 -25(14,23)24)20-13-7-3-6- 12(19)16(13)22-9-1-2-10-2 2/h3-8H,1-2,9-10H2,(H,20, 21); LYMAJMWDQYKXRG-UHFFFAOYSA-N |
Fc1cccc(NC2=N[S](=O)(=O)c3cccc(F)c23)c1N 4CCCC4; c1cc(c(c(c1)F)N2CCCC2)NC3=NS(=O) (=O)c4c3c(ccc4)F |
4-fluoranyl-~{N}-(3-fluoranyl-2-pyrrolidin-1-yl-phenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine |
| 15623 | A1EKC | 4 | C12 H12 B F O4 | InChI=1S/C12H12BFO4/c1-6( 7(2)12(15)16)11-10-8(13(1 7)18-11)4-3-5-9(10)14/h3- 6,11,17H,2H2,1H3,(H,15,16 )/t6-,11-/m1/s1; ZCBYIGIEBWTKJG-KSBSHMNSSA-N |
C[C@@H]([C@H]1OB(O)c2cccc(F)c12)C(=C)C(O )=O; B1(c2cccc(c2C(O1)C(C)C(=C)C(=O)O)F) O; B1(c2cccc(c2[C@H](O1)[C@H](C)C(=C)C(= O)O)F)O; C[CH]([CH]1OB(O)c2cccc(F)c12)C( =C)C(O)=O |
(3~{R})-3-[(3~{R})-4-fluoranyl-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]-2-methylidene-butanoic acid |
| 15624 | A1EKD | 2 | C30 H18 F4 N6 O4 S2 | InChI=1S/C30H18F4N6O4S2/c 1-11-21(26(41)39(37-11)29 -35-24-17(33)7-13(31)9-19 (24)45-29)23(15-5-3-4-6-1 6(15)28(43)44)22-12(2)38- 40(27(22)42)30-36-25-18(3 4)8-14(32)10-20(25)46-30/ h3-10,23,41-42H,1-2H3,(H, 43,44); OEESXXAETQWCHN-UHFFFAOYSA-N |
Cc1nn(c(O)c1C(c2ccccc2C(O)=O)c3c(C)nn(c3 O)c4sc5cc(F)cc(F)c5n4)c6sc7cc(F)cc(F)c7n 6; Cc1c(c(n(n1)c2nc3c(cc(cc3s2)F)F)O)C(c 4ccccc4C(=O)O)c5c(nn(c5O)c6nc7c(cc(cc7s6 )F)F)C |
2-[bis[1-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]methyl]benzoic acid |
| 15625 | A1EKF | 3 | C21 H26 N2 O5 | InChI=1S/C21H26N2O5/c1-27 -19-8-4-17(5-9-19)20(25)1 5-23(14-16-2-6-18(24)7-3- 16)21(26)22-10-12-28-13-1 1-22/h2-9,20,24-25H,10-15 H2,1H3/t20-/m0/s1; OEFSOVWTCFVAQA-FQEVSTJZSA-N |
COc1ccc(cc1)[CH](O)CN(Cc2ccc(O)cc2)C(=O) N3CCOCC3; COc1ccc(cc1)C(CN(Cc2ccc(cc2)O) C(=O)N3CCOCC3)O; COc1ccc(cc1)[C@H](CN(Cc 2ccc(cc2)O)C(=O)N3CCOCC3)O; COc1ccc(cc1) [C@@H](O)CN(Cc2ccc(O)cc2)C(=O)N3CCOCC3 |
~{N}-[(4-hydroxyphenyl)methyl]-~{N}-[(2~{R})-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]morpholine-4-carboxamide |
| 15626 | A1EKG | 2 | C21 H26 N2 O4 | InChI=1S/C21H26N2O4/c1-26 -20-8-4-17(5-9-20)10-11-2 3(16-18-2-6-19(24)7-3-18) 21(25)22-12-14-27-15-13-2 2/h2-9,24H,10-16H2,1H3; KGDQZQMOXUVVGS-UHFFFAOYSA-N |
COc1ccc(cc1)CCN(Cc2ccc(cc2)O)C(=O)N3CCOC C3; COc1ccc(CCN(Cc2ccc(O)cc2)C(=O)N3CCOC C3)cc1 |
~{N}-[(4-hydroxyphenyl)methyl]-~{N}-[2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide |
| 15627 | A1EKK | 2 | C20 H36 O3 | InChI=1S/C20H36O3/c1-4-5- 6-7-8-10-13-16-19(22-2)17 -14-11-9-12-15-18-20(21)2 3-3/h8,10,13,16,19H,4-7,9 ,11-12,14-15,17-18H2,1-3H 3/b10-8+,16-13+/t19-/m0/s 1; TTYSQURQVGCMHK-IOVFVLODSA-N |
CCCCC/C=C/C=C/[C@@H](CCCCCCCC(=O)OC)OC; CCCCC\C=C\C=C\[C@@H](CCCCCCCC(=O)OC)OC; CCCCCC=CC=CC(CCCCCCCC(=O)OC)OC; CCCCCC=C C=C[CH](CCCCCCCC(=O)OC)OC |
methyl (9R,10E,12E)-9-methoxyoctadeca-10,12-dienoate |
| 15628 | A1EKL | 2 | C23 H25 F3 N2 O S | InChI=1S/C23H25F3N2OS/c24 -23(25,26)17-7-8-22-20(16 -17)18(19-4-1-2-6-21(19)3 0-22)5-3-9-27-10-12-28(13 -11-27)14-15-29/h1-2,4-8, 16,29H,3,9-15H2/b18-5-; NJMYODHXAKYRHW-DVZOWYKESA-N |
c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCO)/c4cc(c cc4S2)C(F)(F)F; c1ccc2c(c1)C(=CCCN3CCN(C C3)CCO)c4cc(ccc4S2)C(F)(F)F; OCCN1CCN(CC C=C2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1; OC CN1CCN(CC\C=C/2c3ccccc3Sc4ccc(cc/24)C(F) (F)F)CC1 |
Flupentixol |
| 15629 | A1EKM | 1 | C10 H16 F N2 O14 P3 | InChI=1S/C10H16FN2O14P3/c 1-4-2-13(10(16)12-8(4)15) 9-6(11)7(14)5(25-9)3-24-2 9(20,21)27-30(22,23)26-28 (17,18)19/h2,5-7,9,14H,3H 2,1H3,(H,20,21)(H,22,23)( H,12,15,16)(H2,17,18,19)/ t5-,6+,7-,9-/m1/s1; RUKRVHYQIIURNV-JVZYCSMKSA-N |
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O P(=O)(O)OP(=O)(O)O)O)F; CC1=CN([CH]2O[CH ](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C H](O)[CH]2F)C(=O)NC1=O; CC1=CN(C(=O)NC1= O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O) OP(=O)(O)OP(=O)(O)O)O)F; CC1=CN([C@@H]2O [C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)= O)[C@@H](O)[C@@H]2F)C(=O)NC1=O |
[[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 15630 | A1EKN | 4 | C22 H21 N3 O3 | InChI=1S/C22H21N3O3/c1-15 (26)20-12-17(19-6-4-5-8-2 5(19)20)16-10-21(27-2)18( 22(11-16)28-3)13-24-9-7-2 3-14-24/h4-12,14H,13H2,1- 3H3; ZUOBPPUDVSOXEH-UHFFFAOYSA-N |
COc1cc(cc(OC)c1Cn2ccnc2)c3cc(n4ccccc34)C (C)=O; CC(=O)c1cc(c2n1cccc2)c3cc(c(c(c3) OC)Cn4ccnc4)OC |
1-[1-[4-(imidazol-1-ylmethyl)-3,5-dimethoxy-phenyl]indolizin-3-yl]ethanone |
| 15631 | A1EKO | 6 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3-,4+,5-,6+/m 0/s1; WQZGKKKJIJFFOK-MDMQIMBFSA-N |
OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H ]1O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[ CH](O)[CH](O)[CH](O)[CH]1O; C([C@H]1[C@@ H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O |
alpha-L-Glucopyranose; alpha-L-glucose |
| 15632 | A1EKQ | 1 | C34 H35 N7 O10 | InChI=1S/C34H35N7O10/c1-4 0-7-3-2-4-18(40)29(45)37- 22-11-49-34(33(22,48)12-4 1-13-36-28-25(41)30(46)39 -32(35)38-28)10-21-24-17( 31(47)50-21)8-14-15(27(24 )51-34)9-16-19(42)5-6-20( 43)23(16)26(14)44/h8-9,13 ,18-19,21-22,42,44,48H,2- 7,10-12H2,1H3,(H,37,45)(H 3,35,38,39,46)/t18-,19-,2 1+,22+,33-,34+/m0/s1; ZAMAXRNPOZTYRK-LMJWNRSFSA-N |
CN1CCCC[CH]1C(=O)N[CH]2CO[C]3(C[CH]4OC(= O)c5cc6c(O)c7C(=O)CC[CH](O)c7cc6c(O3)c45 )[C]2(O)Cn8cnc9NC(=NC(=O)c89)N; CN1CCCCC 1C(=O)NC2COC3(C2(Cn4cnc5c4C(=O)N=C(N5)N) O)CC6c7c(cc8c(c7O3)cc9c(c8O)C(=O)CCC9O)C (=O)O6; CN1CCCC[C@H]1C(=O)N[C@@H]2CO[C@] 3([C@@]2(Cn4cnc5c4C(=O)N=C(N5)N)O)C[C@@H ]6c7c(cc8c(c7O3)cc9c(c8O)C(=O)CC[C@@H]9O )C(=O)O6; CN1CCCC[C@H]1C(=O)N[C@@H]2CO[C @@]3(C[C@H]4OC(=O)c5cc6c(O)c7C(=O)CC[C@H ](O)c7cc6c(O3)c45)[C@]2(O)Cn8cnc9NC(=NC( =O)c89)N |
(S)-N-((2R,3S,3a'R,4R,11'S)-3-((2-amino-6-oxo-1,6-dihydro-7H-purin-7-yl)methyl)-3,7',11'-trihydroxy-5',8'-dioxo-3a',4,5,5',8',9',10',11'-octahydro-3H,3'H-spiro[furan-2,2'-furo[2,3,4-de]naphtho[2,3-h]chromen]-4-yl)-1-methylpiperidine-2-carboxamide |
| 15633 | A1EKR | 3 | C22 H25 Cl N6 O2 S | InChI=1S/C22H25ClN6O2S/c1 -28(2)13-15-4-3-5-17(10-1 5)25-22-24-12-18(23)20(26 -22)16-11-19(32-14-16)21( 30)27-29-6-8-31-9-7-29/h3 -5,10-12,14H,6-9,13H2,1-2 H3,(H,27,30)(H,24,25,26); JXVORTVTLKOYIT-UHFFFAOYSA-N |
CN(C)Cc1cccc(c1)Nc2ncc(c(n2)c3cc(sc3)C(= O)NN4CCOCC4)Cl; CN(C)Cc1cccc(Nc2ncc(Cl)c (n2)c3csc(c3)C(=O)NN4CCOCC4)c1 |
4-[5-chloranyl-2-[[3-[(dimethylamino)methyl]phenyl]amino]pyrimidin-4-yl]-~{N}-morpholin-4-yl-thiophene-2-carboxamide |
| 15634 | A1EKS | 1 | C7 H8 B Br O2 | InChI=1S/C7H8BBrO2/c9-5-6 -2-1-3-7(4-6)8(10)11/h1-4 ,10-11H,5H2; ATRFDLFMCLYROQ-UHFFFAOYSA-N |
OB(O)c1cccc(CBr)c1; B(c1cccc(c1)CBr)(O)O | [3-(bromomethyl)phenyl]boronic acid |
| 15635 | A1EKU | 2 | C17 H13 Cl2 F3 N2 O | InChI=1S/C17H13Cl2F3N2O/c 18-9-3-4-10(13(19)8-9)11- 5-6-14(11)24-16(25)12-2-1 -7-23-15(12)17(20,21)22/h 1-4,7-8,11,14H,5-6H2,(H,2 4,25)/t11-,14-/m0/s1; GBFKIHJZPMECCF-FZMZJTMJSA-N |
FC(F)(F)c1ncccc1C(=O)N[C@H]2CC[C@H]2c3cc c(Cl)cc3Cl; c1cc(c(nc1)C(F)(F)F)C(=O)NC2 CCC2c3ccc(cc3Cl)Cl; c1cc(c(nc1)C(F)(F)F) C(=O)N[C@H]2CC[C@H]2c3ccc(cc3Cl)Cl; FC(F )(F)c1ncccc1C(=O)N[CH]2CC[CH]2c3ccc(Cl)c c3Cl |
~{N}-[(1~{S},2~{S})-2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide; Cyclobutrifluram, (S)- |
| 15636 | A1EKV | 1 | C18 H16 Cl2 F3 N3 O | InChI=1S/C18H16Cl2F3N3O/c 1-9(12-6-3-10(19)7-13(12) 20)8-26(11-4-5-11)18(27)1 4-15(16(21)22)24-25(2)17( 14)23/h3,6-7,11,16H,1,4-5 ,8H2,2H3; RLCQQUQJUHSLLN-UHFFFAOYSA-N |
Cn1nc(C(F)F)c(c1F)C(=O)N(CC(=C)c2ccc(Cl) cc2Cl)C3CC3; Cn1c(c(c(n1)C(F)F)C(=O)N(CC (=C)c2ccc(cc2Cl)Cl)C3CC3)F |
3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide |
| 15637 | A1EKX | 2 | C25 H19 F2 N O7 | InChI=1S/C25H19F2NO7/c1-3 1-24(30)17-10-16(11-28-17 )33-23-18(29)6-4-15-9-20( 34-22(15)23)14-5-7-19(35- 25(26)27)21(8-14)32-12-13 -2-3-13/h2,4-11,25,28-29H ,3,12H2,1H3; SVBYCXTUMBVJRN-UHFFFAOYSA-N |
COC(=O)c1cc(c[nH]1)Oc2c(ccc3c2oc(c3)c4cc c(c(c4)OCC5=CC5)OC(F)F)O; COC(=O)c1[nH]c c(Oc2c(O)ccc3cc(oc23)c4ccc(OC(F)F)c(OCC5 =CC5)c4)c1 |
methyl 4-[[2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropen-1-ylmethoxy)phenyl]-6-oxidanyl-1-benzofuran-7-yl]oxy]-1~{H}-pyrrole-2-carboxylate |
| 15638 | A1EKY | 1 | C22 H22 N6 O | InChI=1S/C22H22N6O/c23-21 -19-20(15-6-8-18(9-7-15)2 9-17-4-2-1-3-5-17)27-28(2 2(19)26-14-25-21)16-10-12 -24-13-11-16/h1-9,14,16,2 4H,10-13H2,(H2,23,25,26); LGWZZMCTBPCKHR-UHFFFAOYSA-N |
c1ccc(cc1)Oc2ccc(cc2)c3c4c(ncnc4n(n3)C5C CNCC5)N; Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc 3)c12)C5CCNCC5 |
3-(4-phenoxyphenyl)-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine; N-piperidine Ibrutinib |
| 15639 | A1EKZ | 4 | C22 H20 O3 | InChI=1S/C22H20O3/c1-2-3- 15-24-21-19-12-8-7-11-18( 19)13-14-20(21)22(23)25-1 6-17-9-5-4-6-10-17/h2,4-1 4H,1,3,15-16H2; AUJGTGJXUCGBFJ-UHFFFAOYSA-N |
C=CCCOc1c(ccc2ccccc12)C(=O)OCc3ccccc3; C =CCCOc1c2ccccc2ccc1C(=O)OCc3ccccc3 |
(phenylmethyl) 1-but-3-enoxynaphthalene-2-carboxylate; benzyl 1-(but-3-en-1-yloxy)-2-naphthoate |
| 15640 | A1EL0 | 29 | C24 H32 N11 O11 P S | InChI=1S/C24H32N11O11PS/c 25-9(24(39)40)1-2-48-4-11 -17(16(38)23(45-11)35-8-3 3-13-19(27)29-6-31-21(13) 35)46-47(41,42)43-3-10-14 (36)15(37)22(44-10)34-7-3 2-12-18(26)28-5-30-20(12) 34/h5-11,14-17,22-23,36-3 8H,1-4,25H2,(H,39,40)(H,4 1,42)(H2,26,28,30)(H2,27, 29,31)/t9-,10+,11+,14+,15 +,16+,17+,22+,23+/m0/s1; QBCXMARFZQJLMA-XPJWLEQASA-N |
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O[P](O) (=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N )ncnc34)n5cnc6c(N)ncnc56)C(O)=O; c1nc(c2 c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(OC( C4O)n5cnc6c5ncnc6N)CSCCC(C(=O)O)N)O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([ C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([ C@@H]4O)n5cnc6c5ncnc6N)CSCC[C@@H](C(=O)O )N)O)O)N; N[C@@H](CCSC[C@H]1O[C@H]([C@H] (O)[C@@H]1O[P](O)(=O)OC[C@H]2O[C@H]([C@H ](O)[C@@H]2O)n3cnc4c(N)ncnc34)n5cnc6c(N) ncnc56)C(O)=O |
(2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methylsulfanyl]-2-azanyl-butanoic acid |
| 15641 | A1EL1 | 6 | C25 H35 N12 O11 P | InChI=1S/C25H35N12O11P/c2 6-9(1-2-10(27)25(41)42)3- 11-18(17(40)24(46-11)37-8 -35-14-20(29)31-6-33-22(1 4)37)48-49(43,44)45-4-12- 15(38)16(39)23(47-12)36-7 -34-13-19(28)30-5-32-21(1 3)36/h5-12,15-18,23-24,38 -40H,1-4,26-27H2,(H,41,42 )(H,43,44)(H2,28,30,32)(H 2,29,31,33)/t9-,10-,11+,1 2+,15+,16+,17+,18+,23+,24 +/m0/s1; XNBPELUUEBZQEC-PYTRVWNWSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C @@H]4O)n5cnc6c5ncnc6N)C[C@H](CC[C@@H](C( =O)O)N)N)O)O)N; N[CH](CC[CH](N)C(O)=O)C[ CH]1O[CH]([CH](O)[CH]1O[P](O)(=O)OC[CH]2 O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)n5c nc6c(N)ncnc56; c1nc(c2c(n1)n(cn2)C3C(C(C (O3)COP(=O)(O)OC4C(OC(C4O)n5cnc6c5ncnc6N )CC(CCC(C(=O)O)N)N)O)O)N; N[C@@H](CC[C@H ](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1 O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H] 2O)n3cnc4c(N)ncnc34)n5cnc6c(N)ncnc56 |
(2~{S},5~{S})-6-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]-2,5-bis(azanyl)hexanoic acid |
| 15642 | A1EL2 | 20 | C40 H56 O3 | InChI=1S/C40H56O3/c1-28(1 7-13-19-30(3)21-23-35-32( 5)25-34(41)27-39(35,7)8)1 5-11-12-16-29(2)18-14-20- 31(4)22-24-36-33(6)26-37( 42)38(43)40(36,9)10/h11-2 4,34,37-38,41-43H,25-27H2 ,1-10H3/b12-11+,17-13+,18 -14+,23-21+,24-22+,28-15+ ,29-16+,30-19+,31-20+/t34 -,37-,38+/m1/s1; PKHJWTKRKQNNJE-RJLXQHJHSA-N |
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/C2=C(C[ C@H]([C@@H](C2(C)C)O)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 )[C@H](O)C1(C)C)\C=C\C=C(C)\C=C\C2=C(C)C [C@@H](O)CC2(C)C; CC1=C(C(CC(C1)O)(C)C)C =CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C C(C(C2(C)C)O)O)C)C)C; CC(=CC=CC=C(C)C=CC =C(C)C=CC1=C(C)C[CH](O)[CH](O)C1(C)C)C=C C=C(C)C=CC2=C(C)C[CH](O)CC2(C)C |
(1~{R},2~{R})-3,3,5-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-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-4-ene-1,2-diol; Caloxanthin |
| 15643 | A1EL3 | 1 | C25 H35 N11 O11 P S | InChI=1S/C25H34N11O11PS/c 1-49(3-2-10(26)25(40)41)5 -12-18(17(39)24(46-12)36- 9-34-14-20(28)30-7-32-22( 14)36)47-48(42,43)44-4-11 -15(37)16(38)23(45-11)35- 8-33-13-19(27)29-6-31-21( 13)35/h6-12,15-18,23-24,3 7-39H,2-5,26H2,1H3,(H5-,2 7,28,29,30,31,32,40,41,42 ,43)/p+1/t10-,11+,12+,15+ ,16+,17+,18+,23+,24+,49+/ m0/s1; AKDVTEPPXUCZRD-YBZFFHRHSA-O |
C[S@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([ C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O )OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5 ncnc6N)O)O; C[S+](CC[CH](N)C(O)=O)C[CH]1 O[CH]([CH](O)[CH]1O[P](O)(=O)OC[CH]2O[CH ]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)n5cnc6c (N)ncnc56; C[S@+](CC[C@H](N)C(O)=O)C[C@H ]1O[C@H]([C@H](O)[C@@H]1O[P](O)(=O)OC[C@ H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncn c34)n5cnc6c(N)ncnc56; C[S+](CCC(C(=O)O)N )CC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O |
[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-methyl-sulfanium |
| 15644 | A1EL5 | 1 | C25 H27 N5 O3 | InChI=1S/C25H27N5O3/c1-29 -19-6-3-7-20(33-2)21(19)2 5(32)30-12-10-16-15-9-8-1 4(13-18(15)28-22(16)24(29 )30)27-23(31)17-5-4-11-26 -17/h3,6-9,13,17,24,26,28 H,4-5,10-12H2,1-2H3,(H,27 ,31)/t17-,24+/m1/s1; AQFIRGPZQUJRJS-OSPHWJPCSA-N |
CN1c2cccc(c2C(=O)N3C1c4c(c5ccc(cc5[nH]4) NC(=O)C6CCCN6)CC3)OC; COc1cccc2N(C)[C@H] 3N(CCc4c3[nH]c5cc(NC(=O)[C@H]6CCCN6)ccc4 5)C(=O)c12; CN1c2cccc(c2C(=O)N3[C@H]1c4c (c5ccc(cc5[nH]4)NC(=O)[C@H]6CCCN6)CC3)OC ; COc1cccc2N(C)[CH]3N(CCc4c3[nH]c5cc(NC( =O)[CH]6CCCN6)ccc45)C(=O)c12 |
(R)-N-((S)-4-methoxy-14-methyl-5-oxo-5,7,8,13,13b,14-hexahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-11-yl)pyrrolidine-2-carboxamide |
| 15645 | A1EL6 | 1 | C23 H24 N2 O7 | InChI=1S/C23H24N2O7/c1-6- 23(2,3)21(32-22(26)16-8-7 -11-31-16)13-12-17(29-4)1 8-14(24-27)9-10-15(25-28) 19(18)20(13)30-5/h6-12,21 ,24,27H,1H2,2-5H3/t21-/m1 /s1; WUXGQZUWKGBOKK-OAQYLSRUSA-N |
CC(C)(C=C)[C@@H](c1cc(c2c(ccc(c2c1OC)N=O )NO)OC)OC(=O)c3ccco3; COc1cc([C@@H](OC(= O)c2occc2)C(C)(C)C=C)c(OC)c3c(ccc(NO)c13 )N=O; COc1cc([CH](OC(=O)c2occc2)C(C)(C)C =C)c(OC)c3c(ccc(NO)c13)N=O; CC(C)(C=C)C( c1cc(c2c(ccc(c2c1OC)N=O)NO)OC)OC(=O)c3cc co3 |
[(1~{S})-1-[1,4-dimethoxy-8-nitroso-5-(oxidanylamino)naphthalen-2-yl]-2,2-dimethyl-but-3-enyl] furan-2-carboxylate |
| 15646 | A1EL7 | 3 | C11 H13 N2 O9 P S | InChI=1S/C11H13N2O9PS/c14 -6-5(3-21-23(18,19)20)22- 10(7(6)15)13-4-1-2-24-8(4 )9(16)12-11(13)17/h1-2,5- 7,10,14-15H,3H2,(H,12,16, 17)(H2,18,19,20)/t5-,6-,7 -,10-/m1/s1; XFFDXJGTTZQTKV-DAGMQNCNSA-N |
c1csc2c1N(C(=O)NC2=O)[C@H]3[C@@H]([C@@H] ([C@H](O3)COP(=O)(O)O)O)O; c1csc2c1N(C(= O)NC2=O)C3C(C(C(O3)COP(=O)(O)O)O)O; O[CH ]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O )NC(=O)c3sccc23; O[C@H]1[C@@H](O)[C@@H]( O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)c3scc c23 |
[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)thieno[3,2-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 15647 | A1EL8 | 3 | C11 H13 N2 O9 P S | InChI=1S/C11H13N2O9PS/c14 -7-6(1-21-23(18,19)20)22- 10(8(7)15)13-5-3-24-2-4(5 )9(16)12-11(13)17/h2-3,6- 8,10,14-15H,1H2,(H,12,16, 17)(H2,18,19,20)/t6-,7-,8 -,10-/m1/s1; TXOBYKIAUSPDRX-FDDDBJFASA-N |
c1c2c(cs1)N(C(=O)NC2=O)C3C(C(C(O3)COP(=O )(O)O)O)O; c1c2c(cs1)N(C(=O)NC2=O)[C@H]3 [C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2 C(=O)NC(=O)c3cscc23; O[C@H]1[C@@H](O)[C@ @H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)c 3cscc23 |
[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)thieno[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 15648 | A1EL9 | 0 | C33 H46 N2 O5 | InChI=1S/C33H46N2O5/c1-8- 22(27(38)39)34-28(40)35-3 0(4)13-11-29(3)12-15-32(6 )24-10-9-20-19(2)26(37)23 (36)17-21(20)31(24,5)14-1 6-33(32,7)25(29)18-30/h9- 10,17,22,25,37H,8,11-16,1 8H2,1-7H3,(H,38,39)(H2,34 ,35,40)/t22?,25?,29-,30-, 31+,32-,33+/m1/s1; PMMICXSXMUCBMJ-XSZYYSLISA-N |
CCC(C(=O)O)NC(=O)NC1(CCC2(CCC3(C4=CC=C5C (=C(C(=O)C=C5C4(CCC3(C2C1)C)C)O)C)C)C)C; CC[CH](NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C) C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C) [CH]2C1)C)C(O)=O; CC[C@H](NC(=O)N[C@]1(C )CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C(O)C(=O )C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C)C(O) =O; CC[C@@H](C(=O)O)NC(=O)N[C@@]1(CC[C@@ ]2(CC[C@@]3(C4=CC=C5C(=C(C(=O)C=C5[C@@]4 (CC[C@]3([C@@H]2C1)C)C)O)C)C)C)C |
(2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]butanoic acid |
| 15649 | A1ELA | 1 | C19 H24 I N O3 | InChI=1S/C19H24INO3/c1-13 (21-12-14-7-5-6-8-17(14)2 2-2)9-15-10-19(24-4)16(20 )11-18(15)23-3/h5-8,10-11 ,13,21H,9,12H2,1-4H3/t13- /m1/s1; XRQNUXKKHOVYIR-CYBMUJFWSA-N |
CC(Cc1cc(c(cc1OC)I)OC)NCc2ccccc2OC; C[C@ H](Cc1cc(c(cc1OC)I)OC)NCc2ccccc2OC; COc1 ccccc1CN[C@H](C)Cc2cc(OC)c(I)cc2OC; COc1 ccccc1CN[CH](C)Cc2cc(OC)c(I)cc2OC |
(2~{R})-1-(4-iodanyl-2,5-dimethoxy-phenyl)-~{N}-[(2-methoxyphenyl)methyl]propan-2-amine |
| 15650 | A1ELB | 2 | C14 H17 Br N8 O2 | InChI=1S/C14H17BrN8O2/c1- 22-7-8(5-18-22)9-6-19-23- 12(16)11(15)13(20-14(9)23 )17-4-2-3-10(24)21-25/h5- 7,25H,2-4,16H2,1H3,(H,17, 20)(H,21,24); QKGYCILOWLVAEO-UHFFFAOYSA-N |
Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)NCCCC(=O)N O; Cn1cc(cn1)c2cnn3c(N)c(Br)c(NCCCC(=O)N O)nc23 |
4-[[7-azanyl-6-bromanyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-~{N}-oxidanyl-butanamide |
| 15651 | A1ELC | 1 | C23 H21 Br Cl N3 O2 | InChI=1S/C23H21BrClN3O2/c 1-12(29)28-8-7-18-22-20(2 8)11-19(13-3-6-21(30-2)16 (25)9-13)27-23(22)15-10-1 4(24)4-5-17(15)26-18/h3-6 ,9-10,19-20,27H,7-8,11H2, 1-2H3/t19-,20+/m1/s1; DECLLXLSNYPDHY-UXHICEINSA-N |
CC(=O)N1CCc2c3c(c4cc(ccc4n2)Br)NC(CC31)c 5ccc(c(c5)Cl)OC; CC(=O)N1CCc2c3c(c4cc(cc c4n2)Br)N[C@H](C[C@@H]31)c5ccc(c(c5)Cl)O C; COc1ccc(cc1Cl)[CH]2C[CH]3N(CCc4nc5ccc (Br)cc5c(N2)c34)C(C)=O; COc1ccc(cc1Cl)[C @H]2C[C@@H]3N(CCc4nc5ccc(Br)cc5c(N2)c34) C(C)=O |
1-[(13~{S},15~{R})-4-bromanyl-15-(3-chloranyl-4-methoxy-phenyl)-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaen-12-yl]ethanone |
| 15652 | A1ELD | 87 | C41 H56 O3 | InChI=1S/C41H56O3/c1-32(1 9-13-20-35(4)26-27-39-36( 5)29-38(43)30-40(39,6)7)1 7-11-12-18-33(2)21-14-24- 37(31-42)25-15-22-34(3)23 -16-28-41(8,9)44-10/h11-2 7,31,38,43H,28-30H2,1-10H 3/b12-11+,19-13+,21-14+,2 3-16+,25-15-,27-26+,32-17 +,33-18+,34-22-,35-20+,37 -24-/t38-/m1/s1; DFOYVSCLGRVGJK-PCDZQMFBSA-N |
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC= C(C)C=CC=C(C=CC=C(C)C=CCC(C)(C)OC)C=O)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(\C) /C=C/CC(C)(C)OC)\C=O)/C)/C; COC(C)(C)CC= CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC =C(C)C=CC1=C(C)C[CH](O)CC1(C)C; COC(C)(C )C/C=C/C(C)=C\C=C/C(C=O)=C/C=C/C(C)=C/C= C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O )CC1(C)C |
(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-2-[(1~{Z},3~{Z},5~{E})-8-methoxy-4,8-dimethyl-nona-1,3,5-trienyl]-6,11,15-trimethyl-17-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]heptadeca-2,4,6,8,10,12,14,16-octaenal |
| 15653 | A1ELE CHEMBL1436015 |
1 | C17 H16 N4 O4 S2 | InChI=1S/C17H16N4O4S2/c1- 11-5-3-7-13(9-11)21-27(23 ,24)17-20-19-16(26-17)18- 15(22)12-6-4-8-14(10-12)2 5-2/h3-10,21H,1-2H3,(H,18 ,19,22); NAATWMSNCJQUAW-UHFFFAOYSA-N |
Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cc cc(c3)OC; COc1cccc(c1)C(=O)Nc2sc(nn2)[S] (=O)(=O)Nc3cccc(C)c3 |
3-methoxy-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide; CHEMBL1436015 |
| 15654 | A1ELF | 1 | C20 H16 N4 O3 S2 | InChI=1S/C20H16N4O3S2/c1- 13-5-4-8-17(11-13)24-29(2 6,27)20-23-22-19(28-20)21 -18(25)16-10-9-14-6-2-3-7 -15(14)12-16/h2-12,24H,1H 3,(H,21,22,25); SHYVRGLGJPAIBR-UHFFFAOYSA-N |
Cc1cccc(N[S](=O)(=O)c2sc(NC(=O)c3ccc4ccc cc4c3)nn2)c1; Cc1cccc(c1)NS(=O)(=O)c2nnc (s2)NC(=O)c3ccc4ccccc4c3 |
N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide |
| 15655 | A1ELG | 1 | C17 H13 F3 N4 O4 S2 | InChI=1S/C17H13F3N4O4S2/c 1-10-4-2-6-12(8-10)24-30( 26,27)16-23-22-15(29-16)2 1-14(25)11-5-3-7-13(9-11) 28-17(18,19)20/h2-9,24H,1 H3,(H,21,22,25); XHBDIMBSLVRCKA-UHFFFAOYSA-N |
Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cc cc(c3)OC(F)(F)F; Cc1cccc(N[S](=O)(=O)c2s c(NC(=O)c3cccc(OC(F)(F)F)c3)nn2)c1 |
N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyloxy)benzamide |
| 15656 | A1ELH | 1 | C17 H16 Br N5 O3 S2 | InChI=1S/C17H16BrN5O3S2/c 1-23(2)14-8-4-7-13(10-14) 22-28(25,26)17-21-20-16(2 7-17)19-15(24)11-5-3-6-12 (18)9-11/h3-10,22H,1-2H3, (H,19,20,24); VAOGVNRLMMLBMF-UHFFFAOYSA-N |
CN(C)c1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O) c3cccc(c3)Br; CN(C)c1cccc(N[S](=O)(=O)c2 sc(NC(=O)c3cccc(Br)c3)nn2)c1 |
3-bromanyl-N-[5-[[3-(dimethylamino)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide |
| 15657 | A1ELI | 2 | C15 H18 Br N7 | InChI=1S/C15H18BrN7/c1-22 -8-10(6-19-22)11-7-20-23- 14(17)12(16)13(21-15(11)2 3)9-3-2-4-18-5-9/h6-9,18H ,2-5,17H2,1H3/t9-/m0/s1; GMIZZEXBPRLVIV-VIFPVBQESA-N |
Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)C4CCCNC4; Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)[C@H]4CC CNC4; Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)[C H]4CCCNC4; Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br )[C@H]4CCCNC4 |
6-bromanyl-3-(1-methylpyrazol-4-yl)-5-[(3~{S})-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine |
| 15658 | A1ELJ | 1 | C24 H21 Cl N4 O2 | InChI=1S/C24H21ClN4O2/c1- 13(30)29-8-7-19-23-21(29) 11-20(15-4-6-22(31-2)17(2 5)10-15)28-24(23)16-9-14( 12-26)3-5-18(16)27-19/h3- 6,9-10,20-21,28H,7-8,11H2 ,1-2H3; VSOPKJSLXHMYSQ-UHFFFAOYSA-N |
CC(=O)N1CCc2c3c(c4cc(ccc4n2)C#N)NC(CC31) c5ccc(c(c5)Cl)OC; CC(=O)N1CCc2c3c(c4cc(c cc4n2)C#N)N[C@H](C[C@@H]31)c5ccc(c(c5)Cl )OC; COc1ccc(cc1Cl)[CH]2C[CH]3N(CCc4nc5c cc(cc5c(N2)c34)C#N)C(C)=O; COc1ccc(cc1Cl )[C@H]2C[C@@H]3N(CCc4nc5ccc(cc5c(N2)c34) C#N)C(C)=O |
(13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile |
| 15659 | A1ELK DB18031 |
1 | C28 H25 Cl2 F N4 O4 | InChI=1S/C28H25Cl2FN4O4/c 29-21-2-1-3-22(30)24(21)2 5-20(26(38-33-25)14-4-5-1 4)13-37-18-10-15-6-7-16(1 1-18)35(15)17-8-9-19(23(3 1)12-17)27-32-28(36)39-34 -27/h1-3,8-9,12,14-16,18H ,4-7,10-11,13H2,(H,32,34, 36)/t15-,16+,18+; CEEANZUSISGCJL-VQFNDLOPSA-N |
c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4C[C@H ]5CC[C@@H](C4)N5c6ccc(c(c6)F)C7=NOC(=O)N 7)Cl; c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC 4CC5CCC(C4)N5c6ccc(c(c6)F)C7=NOC(=O)N7)C l; Fc1cc(ccc1C2=NOC(=O)N2)N3[CH]4CC[CH]3 C[CH](C4)OCc5c(onc5c6c(Cl)cccc6Cl)C7CC7; Fc1cc(ccc1C2=NOC(=O)N2)N3[C@H]4CC[C@@H] 3C[C@@H](C4)OCc5c(onc5c6c(Cl)cccc6Cl)C7C C7 |
Linafexor |
| 15660 | A1ELU CHEMBL5174883 |
0 | C11 H16 O5 | InChI=1S/C11H16O5/c1-5-8( 12)3-6-7(10(13)15-2)4-16- 11(14)9(5)6/h4-6,8-9,11-1 2,14H,3H2,1-2H3/t5-,6+,8- ,9+,11+/m0/s1; XWOHZIIPBYAMJX-KHBMLBSESA-N |
CC1C(CC2C1C(OC=C2C(=O)OC)O)O; COC(=O)C1= CO[CH](O)[CH]2[CH](C)[CH](O)C[CH]12; COC (=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H] (O)C[C@H]12; C[C@H]1[C@H](C[C@H]2[C@@H]1 [C@@H](OC=C2C(=O)OC)O)O |
methyl (1~{R},4~{a}~{S},6~{S},7~{R},7~{a}~{S})-7-methyl-1,6-bis(oxidanyl)-1,4~{a},5,6,7,7~{a}-hexahydrocyclopenta[c]pyran-4-carboxylate; Loganetin |
| 15661 | A1ELV CHEMBL1081584 |
1 | C17 H26 O10 | InChI=1S/C17H26O10/c1-6-9 (19)3-7-8(15(23)24-2)5-25 -16(11(6)7)27-17-14(22)13 (21)12(20)10(4-18)26-17/h 5-7,9-14,16-22H,3-4H2,1-2 H3/t6-,7+,9-,10+,11+,12+, 13-,14+,16-,17-/m0/s1; AMBQHHVBBHTQBF-UOUCRYGSSA-N |
CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)C O)O)O)O)O; COC(=O)C1=CO[C@@H](O[C@@H]2O[ C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3 [C@@H](C)[C@@H](O)C[C@H]13; C[C@H]1[C@H] (C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H ]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O) O; COC(=O)C1=CO[CH](O[CH]2O[CH](CO)[CH]( O)[CH](O)[CH]2O)[CH]3[CH](C)[CH](O)C[CH] 13 |
Loganin; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate |
| 15662 | A1ELW | 1 | C16 H16 F3 N3 O S | InChI=1S/C16H16F3N3OS/c1- 2-13(23)22-9-3-4-12(22)15 -21-20-14(24-15)10-5-7-11 (8-6-10)16(17,18)19/h5-8, 12H,2-4,9H2,1H3/t12-/m1/s 1; LLGURZQPWOPEMU-GFCCVEGCSA-N |
CCC(=O)N1CCC[CH]1c2sc(nn2)c3ccc(cc3)C(F) (F)F; CCC(=O)N1CCC[C@@H]1c2nnc(s2)c3ccc( cc3)C(F)(F)F; CCC(=O)N1CCCC1c2nnc(s2)c3c cc(cc3)C(F)(F)F; CCC(=O)N1CCC[C@@H]1c2sc (nn2)c3ccc(cc3)C(F)(F)F |
1-[(2~{R})-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]pyrrolidin-1-yl]propan-1-one |
| 15663 | A1ELY | 1 | C18 H14 N4 O2 | InChI=1S/C18H14N4O2/c1-2- 4-14(5-3-1)20-17-15-8-11- 23-16(15)18(22-21-17)24-1 2-13-6-9-19-10-7-13/h1-11 H,12H2,(H,20,21); OJNIAGZYSLXKIL-UHFFFAOYSA-N |
C(Oc1nnc(Nc2ccccc2)c3ccoc13)c4ccncc4; c1 ccc(cc1)Nc2c3ccoc3c(nn2)OCc4ccncc4 |
N-phenyl-7-(pyridin-4-ylmethoxy)furo[2,3-d]pyridazin-4-amine |
| 15664 | A1ELZ | 0 | C12 H17 F2 N6 O6 P | InChI=1S/C12H17F2N6O6P/c1 -16-8-6-9(19-11(15)18-8)2 0(4-17-6)10-12(14,3-13)7( 21)5(26-10)2-25-27(22,23) 24/h4-5,7,10,21H,2-3H2,1H 3,(H2,22,23,24)(H3,15,16, 18,19)/t5-,7-,10-,12-/m1/ s1; NNYBMAMVSKBZGQ-GSWPYSDESA-N |
CNc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)( O)=O)[CH](O)[C]3(F)CF; CNc1c2c(nc(n1)N)n (cn2)[C@H]3[C@]([C@@H]([C@H](O3)COP(=O)( O)O)O)(CF)F; CNc1c2c(nc(n1)N)n(cn2)C3C(C (C(O3)COP(=O)(O)O)O)(CF)F; CNc1nc(N)nc2n (cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H ](O)[C@]3(F)CF |
[(2R,3R,4R,5R)-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-(fluoranylmethyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 15665 | A1EM0 | 2 | C20 H22 N2 O2 | InChI=1S/C20H22N2O2/c23-2 0(21-12-14-24-15-13-21)22 -11-10-16-6-4-5-9-18(16)1 9(22)17-7-2-1-3-8-17/h1-9 ,19H,10-15H2/t19-/m0/s1; VOGZCMDZLOIFPN-IBGZPJMESA-N |
O=C(N1CCOCC1)N2CCc3ccccc3[C@@H]2c4ccccc4 ; O=C(N1CCOCC1)N2CCc3ccccc3[CH]2c4ccccc4 ; c1ccc(cc1)[C@H]2c3ccccc3CCN2C(=O)N4CCO CC4; c1ccc(cc1)C2c3ccccc3CCN2C(=O)N4CCOC C4 |
morpholin-4-yl-[(1~{S})-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone |
| 15666 | A1EM1 | 1 | C24 H50 O | InChI=1S/C24H50O/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15-16-17-18-19-20-21-22- 23-24-25/h25H,2-24H2,1H3; TYWMIZZBOVGFOV-UHFFFAOYSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCO | tetracosan-1-ol; Tetracosanol |
| 15667 | A1EM2 CHEMBL5415991 |
4 | C21 H20 Cl N5 O | InChI=1S/C21H20ClN5O/c1-1 4(2)28-19-10-17(22)9-8-16 (19)12-23-20-11-18(15-6-4 -3-5-7-15)26-21-24-13-25- 27(20)21/h3-11,13-14,23H, 12H2,1-2H3; WBYNZQXAAWPAGR-UHFFFAOYSA-N |
CC(C)Oc1cc(Cl)ccc1CNc2cc(nc3ncnn23)c4ccc cc4; CC(C)Oc1cc(ccc1CNc2cc(nc3n2ncn3)c4c cccc4)Cl |
N-[(4-chloranyl-2-propan-2-yloxy-phenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; AF64394 |
| 15668 | A1EM3 | 2 | C27 H54 N O8 P | InChI=1S/C27H54NO8P/c1-3- 5-7-9-11-12-14-15-17-19-2 6(29)33-23-25(24-35-37(31 ,32)34-22-21-28)36-27(30) 20-18-16-13-10-8-6-4-2/h2 5H,3-24,28H2,1-2H3,(H,31, 32)/t25-/m1/s1; GFVZVLNRUBXMQX-RUZDIDTESA-N |
CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O )CCCCCCCCC; CCCCCCCCCCCC(=O)OC[CH](CO[P] (O)(=O)OCCN)OC(=O)CCCCCCCCC; CCCCCCCCCCC C(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCC CCCCC; CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O )OCCN)OC(=O)CCCCCCCCC |
[(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] dodecanoate |
| 15669 | A1EM4 CHEMBL1624221 |
1 | C23 H25 N5 O5 | InChI=1S/C23H25N5O5/c1-30 -18-11-14-15(12-19(18)31- 2)25-23(26-21(14)24)28-9- 7-27(8-10-28)22(29)20-13- 32-16-5-3-4-6-17(16)33-20 /h3-6,11-12,20H,7-10,13H2 ,1-2H3,(H2,24,25,26)/t20- /m0/s1; RUZYUOTYCVRMRZ-FQEVSTJZSA-N |
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C @@H]4COc5ccccc5O4; COc1cc2c(cc1OC)nc(nc2 N)N3CCN(CC3)C(=O)C4COc5ccccc5O4; COc1cc2 nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@@H]4CO c5ccccc5O4; COc1cc2nc(nc(N)c2cc1OC)N3CCN (CC3)C(=O)[CH]4COc5ccccc5O4 |
Doxazosin, (S)- |
| 15670 | A1EM6 | 1 | C11 H15 N O | InChI=1S/C11H15NO/c13-11( 6-8-12-9-7-11)10-4-2-1-3- 5-10/h1-5,12-13H,6-9H2; KQKFQBTWXOGINC-UHFFFAOYSA-N |
c1ccc(cc1)C2(CCNCC2)O; OC1(CCNCC1)c2cccc c2 |
4-phenylpiperidin-4-ol |
| 15671 | A1EM7 | 1 | C6 H7 N O2 S | InChI=1S/C6H7NO2S/c1-3-5( 6(8)9)10-4(2)7-3/h1-2H3,( H,8,9); MQGBARXPCXAFRZ-UHFFFAOYSA-N |
Cc1c(sc(n1)C)C(=O)O; Cc1sc(C(O)=O)c(C)n1 | 2,4-dimethyl-1,3-thiazole-5-carboxylic acid |
| 15672 | A1EM8 | 1 | C4 H6 N2 S | InChI=1S/C4H6N2S/c5-1-4-2 -6-3-7-4/h2-3H,1,5H2; XDNQVUAKCAPBIG-UHFFFAOYSA-N |
c1c(scn1)CN; NCc1scnc1 | 1,3-thiazol-5-ylmethanamine |
| 15673 | A1EM9 | 3 | C13 H21 N3 | InChI=1S/C13H21N3/c1-15-7 -2-8-16(10-9-15)13-5-3-12 (11-14)4-6-13/h3-6H,2,7-1 1,14H2,1H3; GYRJZJZERXFNLI-UHFFFAOYSA-N |
CN1CCCN(CC1)c2ccc(CN)cc2; CN1CCCN(CC1)c2 ccc(cc2)CN |
[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine |
| 15674 | A1EMB | 1 | C20 H19 F N6 S | InChI=1S/C20H19FN6S/c1-11 -9-23-19(28-11)17-8-13(6- 14-10-27(3)20(22)25-14)7- 16(26-17)15-4-5-18(21)24- 12(15)2/h4-5,7-10H,6H2,1- 3H3,(H2,22,25); FPUJAZWIWOBLCF-UHFFFAOYSA-N |
Cc1cnc(s1)c2cc(cc(n2)c3ccc(nc3C)F)Cc4cn( c(n4)N)C; Cn1cc(Cc2cc(nc(c2)c3ccc(F)nc3C )c4sc(C)cn4)nc1N |
4-[[2-(6-fluoranyl-2-methyl-pyridin-3-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyridin-4-yl]methyl]-1-methyl-imidazol-2-amine |
| 15675 | A1EMC | 2 | C31 H42 O2 | InChI=1S/C31H42O2/c1-22(2 )12-9-13-23(3)14-10-15-24 (4)16-11-17-25(5)20-21-27 -26(6)30(32)28-18-7-8-19- 29(28)31(27)33/h7-8,12,14 ,16,18-20,32-33H,9-11,13, 15,17,21H2,1-6H3/b23-14+, 24-16+,25-20+; NIOZAZRLJCBEGX-GHDNBGIDSA-N |
Cc1c(c(c2ccccc2c1O)O)CC=C(C)CCC=C(C)CCC= C(C)CCC=C(C)C; CC(C)=CCCC(C)=CCCC(C)=CCC C(C)=CCc1c(C)c(O)c2ccccc2c1O; CC(C)=CCC/ C(C)=C/CCC(/C)=C/CCC(/C)=C/Cc1c(C)c(O)c2 ccccc2c1O; Cc1c(c(c2ccccc2c1O)O)C/C=C(\C )/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C |
2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol; Menahydroquinone-4; Menaquinol-4; Mkh-4 cpd |
| 15676 | A1EMD | 1 | C21 H19 N5 O3 S2 | InChI=1S/C21H19N5O3S2/c1- 26(2)18-9-5-8-17(13-18)25 -31(28,29)21-24-23-20(30- 21)22-19(27)16-11-10-14-6 -3-4-7-15(14)12-16/h3-13, 25H,1-2H3,(H,22,23,27); NBMBYKDETHCBSW-UHFFFAOYSA-N |
CN(C)c1cccc(N[S](=O)(=O)c2sc(NC(=O)c3ccc 4ccccc4c3)nn2)c1; CN(C)c1cccc(c1)NS(=O)( =O)c2nnc(s2)NC(=O)c3ccc4ccccc4c3 |
N-[5-[[3-(dimethylamino)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide |
| 15677 | A1EMF | 1 | C11 H11 N3 S | InChI=1S/C11H11N3S/c1-2-8 -15-11-12-10(13-14-11)9-6 -4-3-5-7-9/h2-7H,1,8H2,(H ,12,13,14); TWQFNUXVXFMLPV-UHFFFAOYSA-N |
C=CCSc1[nH]c(nn1)c2ccccc2 | 3-phenyl-5-prop-2-enylsulfanyl-4~{H}-1,2,4-triazole |
| 15678 | A1EMG | 9 | C29 H29 N5 O5 | InChI=1S/C29H29N5O5/c1-37 -26-8-3-18(13-27(26)38-2) 14-28(35)33-11-9-20(10-12 -33)39-21-5-7-23-25(16-21 )34(29(36)32-23)19-4-6-22 -24(15-19)31-17-30-22/h3- 8,13,15-17,20H,9-12,14H2, 1-2H3,(H,30,31)(H,32,36); VARRNOOVAYKSMS-UHFFFAOYSA-N |
COc1ccc(cc1OC)CC(=O)N2CCC(CC2)Oc3ccc4c(c 3)N(C(=O)N4)c5ccc6c(c5)nc[nH]6; COc1ccc( CC(=O)N2CCC(CC2)Oc3ccc4NC(=O)N(c5ccc6[nH ]cnc6c5)c4c3)cc1OC |
3-(1H-benzimidazol-5-yl)-5-[1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-4-yl]oxy-1H-benzimidazol-2-one |
| 15679 | A1EMH | 0 | C10 H18 O7 | InChI=1S/C10H18O7/c11-9(1 2)1-3-15-5-7-17-8-6-16-4- 2-10(13)14/h1-8H2,(H,11,1 2)(H,13,14); WFLUHYUKINZPNZ-UHFFFAOYSA-N |
OC(=O)CCOCCOCCOCCC(O)=O; C(COCCOCCOCCC(= O)O)C(=O)O |
3-[2-[2-(3-hydroxy-3-oxopropyloxy)ethoxy]ethoxy]propanoic acid; Bis-PEG3-acid |
| 15680 | A1EMI | 2 | C64 H68 N10 O19 S4 | InChI=1S/C64H68N10O19S4/c 1-89-45-15-23-49(24-16-45 )96(85,86)73(41-61(67)77) 57-29-27-55(51-7-3-5-9-53 (51)57)71(39-59(65)75)94( 81,82)47-19-11-43(12-20-4 7)69-63(79)31-33-91-35-37 -93-38-36-92-34-32-64(80) 70-44-13-21-48(22-14-44)9 5(83,84)72(40-60(66)76)56 -28-30-58(54-10-6-4-8-52( 54)56)74(42-62(68)78)97(8 7,88)50-25-17-46(90-2)18- 26-50/h3-30H,31-42H2,1-2H 3,(H2,65,75)(H2,66,76)(H2 ,67,77)(H2,68,78)(H,69,79 )(H,70,80); RAVYYVCSGTXJNG-UHFFFAOYSA-N |
COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c 2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)NC(= O)CCOCCOCCOCCC(=O)Nc5ccc(cc5)S(=O)(=O)N( CC(=O)N)c6ccc(c7c6cccc7)N(CC(=O)N)S(=O)( =O)c8ccc(cc8)OC; COc1ccc(cc1)[S](=O)(=O) N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3c cc(NC(=O)CCOCCOCCOCCC(=O)Nc4ccc(cc4)[S]( =O)(=O)N(CC(N)=O)c5ccc(N(CC(N)=O)[S](=O) (=O)c6ccc(OC)cc6)c7ccccc57)cc3)c8ccccc28 |
~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-[2-[2-[3-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]propanamide |
| 15681 | A1EML | 0 | C12 H22 O8 | InChI=1S/C12H22O8/c13-11( 14)1-3-17-5-7-19-9-10-20- 8-6-18-4-2-12(15)16/h1-10 H2,(H,13,14)(H,15,16); LGEVPLDBBPWJIC-UHFFFAOYSA-N |
C(COCCOCCOCCOCCC(=O)O)C(=O)O; OC(=O)CCOC COCCOCCOCCC(O)=O |
3-[2-[2-[2-(3-hydroxy-3-oxopropyloxy)ethoxy]ethoxy]ethoxy]propanoic acid; Bis-PEG4-acid |
| 15682 | A1EMM | 2 | C66 H72 N10 O20 S4 | InChI=1S/C66H72N10O20S4/c 1-91-47-15-23-51(24-16-47 )99(87,88)75(43-63(69)79) 59-29-27-57(53-7-3-5-9-55 (53)59)73(41-61(67)77)97( 83,84)49-19-11-45(12-20-4 9)71-65(81)31-33-93-35-37 -95-39-40-96-38-36-94-34- 32-66(82)72-46-13-21-50(2 2-14-46)98(85,86)74(42-62 (68)78)58-28-30-60(56-10- 6-4-8-54(56)58)76(44-64(7 0)80)100(89,90)52-25-17-4 8(92-2)18-26-52/h3-30H,31 -44H2,1-2H3,(H2,67,77)(H2 ,68,78)(H2,69,79)(H2,70,8 0)(H,71,81)(H,72,82); HHZFKMAZVHFXER-UHFFFAOYSA-N |
COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N (CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCOCCOCC OCCOCCC(=O)Nc4ccc(cc4)[S](=O)(=O)N(CC(N) =O)c5ccc(N(CC(N)=O)[S](=O)(=O)c6ccc(OC)c c6)c7ccccc57)cc3)c8ccccc28; COc1ccc(cc1) S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC( =O)N)S(=O)(=O)c4ccc(cc4)NC(=O)CCOCCOCCOC COCCC(=O)Nc5ccc(cc5)S(=O)(=O)N(CC(=O)N)c 6ccc(c7c6cccc7)N(CC(=O)N)S(=O)(=O)c8ccc( cc8)OC |
~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-[2-[2-[2-[3-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanamide |
| 15683 | A1EMN | 4 | C59 H58 N10 O16 S4 | InChI=1S/C59H58N10O16S4/c 1-84-40-18-26-44(27-19-40 )88(80,81)68(36-56(62)72) 52-32-30-50(46-8-3-5-10-4 8(46)52)66(34-54(60)70)86 (76,77)42-22-14-38(15-23- 42)64-58(74)12-7-13-59(75 )65-39-16-24-43(25-17-39) 87(78,79)67(35-55(61)71)5 1-31-33-53(49-11-6-4-9-47 (49)51)69(37-57(63)73)89( 82,83)45-28-20-41(85-2)21 -29-45/h3-6,8-11,14-33H,7 ,12-13,34-37H2,1-2H3,(H2, 60,70)(H2,61,71)(H2,62,72 )(H2,63,73)(H,64,74)(H,65 ,75); IZASUGTYGOEXDI-UHFFFAOYSA-N |
COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N (CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCCC(=O) Nc4ccc(cc4)[S](=O)(=O)N(CC(N)=O)c5ccc(N( CC(N)=O)[S](=O)(=O)c6ccc(OC)cc6)c7ccccc5 7)cc3)c8ccccc28; COc1ccc(cc1)S(=O)(=O)N( CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)( =O)c4ccc(cc4)NC(=O)CCCC(=O)Nc5ccc(cc5)S( =O)(=O)N(CC(=O)N)c6ccc(c7c6cccc7)N(CC(=O )N)S(=O)(=O)c8ccc(cc8)OC |
~{N},~{N}'-bis[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]pentanediamide |
| 15684 | A1EMO | 1 | C14 H16 O3 | InChI=1S/C14H16O3/c1-4-10 (2)6-5-7-11(3)13-8-12(15) 9-14(16)17-13/h4-9,15H,1- 3H3/b6-5+,10-4+,11-7+; XLEKERYMFDYNQR-DTBWVNQVSA-N |
C/C=C(\C)/C=C/C=C(\C)/C1=CC(=CC(=O)O1)O; CC=C(C)C=CC=C(C)C1=CC(=CC(=O)O1)O; C\C= C(C)\C=C\C=C(C)\C1=CC(=CC(=O)O1)O |
6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-4-oxidanyl-pyran-2-one |
| 15685 | A1EMP | 0 | C34 H36 N6 O4 | InChI=1S/C34H36N6O4/c1-19 -30(22(4)44-38-19)23-16-2 9-32(37-17-23)26(18-40(29 )21(3)28-13-5-7-14-36-28) 25-11-9-10-24-20(2)39(33( 41)31(24)25)15-8-6-12-27( 35)34(42)43/h5,7,9-11,13- 14,16-18,21,27,33,41H,2,6 ,8,12,15,35H2,1,3-4H3,(H, 42,43)/t21-,27-,33-/m0/s1; MJITZWMKYRGSCH-NNZMHCESSA-N |
C[CH](n1cc(c2cccc3C(=C)N(CCCC[CH](N)C(O) =O)[CH](O)c23)c4ncc(cc14)c5c(C)onc5C)c6c cccn6; Cc1c(c(on1)C)c2cc3c(c(cn3C(C)c4cc ccn4)c5cccc6c5C(N(C6=C)CCCCC(C(=O)O)N)O) nc2; Cc1c(c(on1)C)c2cc3c(c(cn3[C@@H](C)c 4ccccn4)c5cccc6c5[C@@H](N(C6=C)CCCC[C@@H ](C(=O)O)N)O)nc2; C[C@H](n1cc(c2cccc3C(= C)N(CCCC[C@H](N)C(O)=O)[C@@H](O)c23)c4nc c(cc14)c5c(C)onc5C)c6ccccn6 |
(2~{S})-2-azanyl-6-[(1~{S})-7-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1~{S})-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]-3-methylidene-1-oxidanyl-1~{H}-isoindol-2-yl]hexanoic acid |
| 15686 | A1EMQ | 2 | C26 H28 O14 | InChI=1S/C26H28O14/c27-6- 13-18(32)21(35)23(37)26(4 0-13)16-20(34)15(25-22(36 )17(31)11(30)7-38-25)19(3 3)14-10(29)5-12(39-24(14) 16)8-1-3-9(28)4-2-8/h1-5, 11,13,17-18,21-23,25-28,3 0-37H,6-7H2/t11-,13+,17-, 18+,21-,22+,23+,25-,26-/m 0/s1; OVMFOVNOXASTPA-VYUBKLCTSA-N |
c1cc(ccc1C2=CC(=O)c3c(c(c(c(c3O2)[C@H]4[ C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[ C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O; O C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O) c2c(O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O )c(O)c4C(=O)C=C(Oc24)c5ccc(O)cc5; c1cc(c cc1C2=CC(=O)c3c(c(c(c(c3O2)C4C(C(C(C(O4) CO)O)O)O)O)C5C(C(C(CO5)O)O)O)O)O; OC[CH] 1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)c([CH] 3OC[CH](O)[CH](O)[CH]3O)c(O)c4C(=O)C=C(O c24)c5ccc(O)cc5 |
8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-6-[(2~{S},3~{R},4~{S},5~{S})-3,4,5-tris(oxidanyl)oxan-2-yl]chromen-4-one; Isoschaftoside |
| 15687 | A1EMR | 1 | C18 H15 F N6 O | InChI=1S/C18H15FN6O/c1-20 -15-4-12(19)3-13-14-2-11( 8-23-17(14)25-16(13)15)18 (26)24-7-10-5-21-9-22-6-1 0/h2-6,8-9,20H,7H2,1H3,(H ,23,25)(H,24,26); UUTSYXMIEHJQPN-UHFFFAOYSA-N |
CNc1cc(F)cc2c1[nH]c3ncc(cc23)C(=O)NCc4cn cnc4; CNc1cc(cc2c1[nH]c3c2cc(cn3)C(=O)NC c4cncnc4)F |
6-fluoranyl-8-(methylamino)-N-(pyrimidin-5-ylmethyl)-9H-pyrido[2,3-b]indole-3-carboxamide |
| 15688 | A1EMT | 1 | C24 H24 F3 N3 O | InChI=1S/C24H24F3N3O/c1-3 -30-22(16-8-5-4-6-9-16)21 (15-28-30)23(31)29(2)20-1 3-18(14-20)17-10-7-11-19( 12-17)24(25,26)27/h4-12,1 5,18,20H,3,13-14H2,1-2H3/ t18-,20+; VWSNDEZRLZHMNM-PUZFROQSSA-N |
CCn1ncc(C(=O)N(C)[C@@H]2C[C@@H](C2)c3ccc c(c3)C(F)(F)F)c1c4ccccc4; CCn1ncc(C(=O)N (C)[CH]2C[CH](C2)c3cccc(c3)C(F)(F)F)c1c4 ccccc4; CCn1c(c(cn1)C(=O)N(C)C2CC(C2)c3c ccc(c3)C(F)(F)F)c4ccccc4 |
1-ethyl-~{N}-methyl-5-phenyl-~{N}-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazole-4-carboxamide |
| 15689 | A1EMU | 1 | C22 H22 Br N5 O S | InChI=1S/C22H22BrN5OS/c1- 29-19-8-6-18(7-9-19)27-12 -10-26(11-13-27)14-20-15- 28-21(24-25-22(28)30-20)1 6-2-4-17(23)5-3-16/h2-9,1 5H,10-14H2,1H3; JGXIXBKKDUNARN-UHFFFAOYSA-N |
COc1ccc(cc1)N2CCN(CC2)Cc3cn4c(nnc4s3)c5c cc(cc5)Br; COc1ccc(cc1)N2CCN(CC2)Cc3sc4n nc(n4c3)c5ccc(Br)cc5 |
3-(4-bromophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole |
| 15690 | A1EMV CHEMBL24778 DB06207 |
1 | C25 H32 F3 N3 O4 | InChI=1S/C25H32F3N3O4/c1- 17(30-8-12-34-21-5-2-3-6- 22(21)35-16-25(26,27)28)1 3-18-14-19-7-10-31(9-4-11 -32)23(19)20(15-18)24(29) 33/h2-3,5-6,14-15,17,30,3 2H,4,7-13,16H2,1H3,(H2,29 ,33)/t17-/m1/s1; PNCPYILNMDWPEY-QGZVFWFLSA-N |
C[C@H](Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO)NC COc3ccccc3OCC(F)(F)F; CC(Cc1cc2c(c(c1)C( =O)N)N(CC2)CCCO)NCCOc3ccccc3OCC(F)(F)F; C[CH](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc 3ccccc3OCC(F)(F)F; C[C@H](Cc1cc2CCN(CCCO )c2c(c1)C(N)=O)NCCOc3ccccc3OCC(F)(F)F |
Silodosin |
| 15691 | A1EMX | 2 | C20 H18 N4 O | InChI=1S/C20H18N4O/c1-11- 4-5-18(25)12(2)19(11)15-6 -14-7-17(24-20(14)23-8-15 )16-9-21-13(3)22-10-16/h4 -10,25H,1-3H3,(H,23,24); CNUXOQDACVPLIG-UHFFFAOYSA-N |
Cc1ccc(O)c(C)c1c2cnc3[nH]c(cc3c2)c4cnc(C )nc4; Cc1ccc(c(c1c2cc3cc([nH]c3nc2)c4cnc (nc4)C)C)O |
2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]phenol |
| 15692 | A1EMZ | 8 | C32 H32 N4 O3 | InChI=1S/C32H32N4O3/c1-6- 31(4,5)36-23-14-10-8-12-2 1(23)32(39)18-25-27(37)34 -16-15-30(2,3)26-20(19-11 -7-9-13-22(19)33-26)17-24 (34)28(38)35(25)29(32)36/ h6-17,25,29,33,39H,1,18H2 ,2-5H3/t25-,29+,32+/m1/s1; XOYCJCSLHCTYSV-ISXOHIFFSA-N |
CC1(C=CN2C(=Cc3c1[nH]c4c3cccc4)C(=O)N5C( C2=O)CC6(C5N(c7c6cccc7)C(C)(C)C=C)O)C; C C(C)(C=C)N1[CH]2N3[CH](C[C]2(O)c4ccccc14 )C(=O)N5C=CC(C)(C)c6[nH]c7ccccc7c6C=C5C3 =O; CC1(/C=C\N2/C(=C\c3c1[nH]c4c3cccc4)/ C(=O)N5[C@H](C2=O)C[C@]6([C@@H]5N(c7c6cc cc7)C(C)(C)C=C)O)C; CC(C)(C=C)N1[C@@H]2N 3[C@@H](C[C@]2(O)c4ccccc14)C(=O)N5\C=C/C (C)(C)c6[nH]c7ccccc7c6/C=C5/C3=O |
(1Z,4R,12S,14S,17Z)-12-hydroxy-19,19-dimethyl-5-(2-methylbut-3-en-2-yl)-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione |
| 15693 | A1EN0 | 6 | C31 H44 F3 N5 O6 | InChI=1S/C31H44F3N5O6/c32 -31(33,34)30(45)38-23(17- 7-2-1-3-8-17)29(44)39-16- 19-9-6-12-21(19)24(39)27( 42)37-22(15-18-13-14-35-2 6(18)41)25(40)28(43)36-20 -10-4-5-11-20/h17-24H,1-1 6H2,(H,35,41)(H,36,43)(H, 37,42)(H,38,45)/t18-,19-, 21-,22-,23-,24-/m0/s1; ICGMMLTUQDVAST-HEZDJTGRSA-N |
FC(F)(F)C(=O)N[CH](C1CCCCC1)C(=O)N2C[CH] 3CCC[CH]3[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C (=O)C(=O)NC5CCCC5; C1CCC(CC1)C(C(=O)N2CC 3CCCC3C2C(=O)NC(CC4CCNC4=O)C(=O)C(=O)NC5 CCCC5)NC(=O)C(F)(F)F; C1CCC(CC1)[C@@H](C (=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@ H](C[C@@H]4CCNC4=O)C(=O)C(=O)NC5CCCC5)NC (=O)C(F)(F)F; FC(F)(F)C(=O)N[C@@H](C1CCC CC1)C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O) N[C@@H](C[C@@H]4CCNC4=O)C(=O)C(=O)NC5CCC C5 |
(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
| 15694 | A1EN3 | 7 | C34 H31 F4 N5 O3 | InChI=1S/C34H31F4N5O3/c1- 3-22-25(35)7-6-19-12-21(4 4)13-23(26(19)22)28-27(36 )29-24(15-39-28)31(42-10- 4-8-33(2,45)17-42)41-32(4 0-29)46-18-34-9-5-11-43(3 4)16-20(14-34)30(37)38/h1 ,6-7,12-13,15,44-45H,4-5, 8-11,14,16-18H2,2H3/t33-, 34+/m1/s1; UBTUDOPGKDULSC-NOCHOARKSA-N |
C[C@]1(CCCN(C1)c2c3cnc(c(c3nc(n2)OC[C@@] 45CCCN4CC(=C(F)F)C5)F)c6cc(cc7c6c(c(cc7) F)C#C)O)O; C[C]1(O)CCCN(C1)c2nc(OC[C]34C CCN3CC(C4)=C(F)F)nc5c(F)c(ncc25)c6cc(O)c c7ccc(F)c(C#C)c67; C[C@@]1(O)CCCN(C1)c2n c(OC[C@@]34CCCN3CC(C4)=C(F)F)nc5c(F)c(nc c25)c6cc(O)cc7ccc(F)c(C#C)c67; CC1(CCCN( C1)c2c3cnc(c(c3nc(n2)OCC45CCCN4CC(=C(F)F )C5)F)c6cc(cc7c6c(c(cc7)F)C#C)O)O |
(3~{R})-1-[2-[[(8~{S})-6-[bis(fluoranyl)methylidene]-2,3,5,7-tetrahydro-1~{H}-pyrrolizin-8-yl]methoxy]-7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-pyrido[4,3-d]pyrimidin-4-yl]-3-methyl-piperidin-3-ol |
| 15695 | A1EN4 | 1 | C18 H19 N3 O3 | InChI=1S/C18H19N3O3/c1-12 -9-19-11-21(12)10-13-4-6- 16(18(22)20-13)15-7-5-14( 23-2)8-17(15)24-3/h4-9,11 H,10H2,1-3H3,(H,20,22); ZECHXPHSMKLWSM-UHFFFAOYSA-N |
COc1ccc(c(OC)c1)C2=CC=C(Cn3cncc3C)NC2=O; Cc1cncn1CC2=CC=C(C(=O)N2)c3ccc(cc3OC)OC |
3-(2,4-dimethoxyphenyl)-6-[(5-methylimidazol-1-yl)methyl]-1H-pyridin-2-one |
| 15696 | A1EN5 | 2 | C21 H24 N4 O2 | InChI=1S/C21H24N4O2/c1-3- 5-6-20(26)24-19-10-8-16(1 3-22-19)15-7-9-18-17(12-1 5)21(27)25(11-4-2)14-23-1 8/h7-10,12-14H,3-6,11H2,1 -2H3,(H,22,24,26); CMSIAWXDJIGAGC-UHFFFAOYSA-N |
CCCCC(=O)Nc1ccc(cn1)c2ccc3c(c2)C(=O)N(C= N3)CCC; CCCCC(=O)Nc1ccc(cn1)c2ccc3N=CN(C CC)C(=O)c3c2 |
~{N}-[5-(4-oxidanylidene-3-propyl-quinazolin-6-yl)pyridin-2-yl]pentanamide |
| 15697 | A1EN6 | 5 | C9 H19 O11 P | InChI=1S/C9H19O11P/c10-1- 4(2-11)19-21(16,17)20-8-6 (13)5(3-12)18-9(15)7(8)14 /h4-15H,1-3H2,(H,16,17)/t 5-,6+,7-,8+,9?/m1/s1; BDRVCGPVRLPPFA-LOHXVAINSA-N |
OCC(CO)O[P](O)(=O)O[CH]1[CH](O)[CH](O)O[ CH](CO)[CH]1O; OCC(CO)O[P](O)(=O)O[C@@H] 1[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]1O; C( C1C(C(C(C(O1)O)O)OP(=O)(O)OC(CO)CO)O)O; C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)OP (=O)(O)OC(CO)CO)O)O |
1,3-bis(oxidanyl)propan-2-yl [(2~{R},3~{S},4~{S},5~{R})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen phosphate |
| 15698 | A1EN7 | 8 | C13 H14 B F O5 | InChI=1S/C13H14BFO5/c1-8( 13(16)17)6-12-10-3-2-9(19 -5-4-15)7-11(10)14(18)20- 12/h2-3,7,12,18H,1,4-6H2, (H,16,17)/t12-/m1/s1; OJTNGWMSGVANIF-GFCCVEGCSA-N |
OB1O[CH](CC(=C)C(O)=O)c2ccc(OCCF)cc12; O B1O[C@H](CC(=C)C(O)=O)c2ccc(OCCF)cc12; B 1(c2cc(ccc2C(O1)CC(=C)C(=O)O)OCCF)O; B1( c2cc(ccc2[C@H](O1)CC(=C)C(=O)O)OCCF)O |
2-[[(3~{R})-6-(2-fluoranylethoxy)-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methyl]prop-2-enoic acid |
| 15699 | A1EN8 | 4 | C13 H13 B F N3 O4 | InChI=1S/C13H13BFN3O4/c15 -5-10-7-18(17-16-10)6-9-2 -1-8-3-4-14(21)22-12(8)11 (9)13(19)20/h1-2,7,21H,3- 6H2,(H,19,20); VWUFDBKYKCVZPQ-UHFFFAOYSA-N |
OB1CCc2ccc(Cn3cc(CF)nn3)c(C(O)=O)c2O1; B 1(CCc2ccc(c(c2O1)C(=O)O)Cn3cc(nn3)CF)O |
7-[[4-(fluoranylmethyl)-1,2,3-triazol-1-yl]methyl]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid |
| 15700 | A1ENA | 2 | C8 H12 N4 O | InChI=1S/C8H12N4O/c9-7-1- 2-8(11-10-7)12-3-5-13-6-4 -12/h1-2H,3-6H2,(H2,9,10); IEUHTZVAUDMKQJ-UHFFFAOYSA-N |
c1cc(nnc1N)N2CCOCC2; Nc1ccc(nn1)N2CCOCC2 | 6-morpholin-4-ylpyridazin-3-amine |
| 15701 | A1ENB | 1 | C10 H11 N3 | InChI=1S/C10H11N3/c11-10- 4-2-9(3-5-10)8-13-7-1-6-1 2-13/h1-7H,8,11H2; ISRYTHBRUSOVAB-UHFFFAOYSA-N |
c1cnn(c1)Cc2ccc(cc2)N; Nc1ccc(Cn2cccn2)c c1 |
4-(pyrazol-1-ylmethyl)aniline |
| 15702 | A1ENC | 1 | C11 H12 N2 O | InChI=1S/C11H12N2O/c1-12- 7-9-4-5-10(13-8-9)11-3-2- 6-14-11/h2-6,8,12H,7H2,1H 3; UDZJNNURWGNFCN-UHFFFAOYSA-N |
CNCc1ccc(nc1)c2occc2; CNCc1ccc(nc1)c2ccc o2 |
1-[6-(furan-2-yl)pyridin-3-yl]-~{N}-methyl-methanamine |
| 15703 | A1END | 1 | C4 H3 F N2 O S | InChI=1S/C4H3FN2OS/c5-2-1 -6-4(8)7-3(2)9/h1H,(H2,6, 7,8,9); SOEINGHMICSQAA-UHFFFAOYSA-N |
C1=C(C(=S)NC(=O)N1)F; FC1=CNC(=O)NC1=S | 5-fluoranyl-4-sulfanylidene-1~{H}-pyrimidin-2-one |
| 15704 | A1ENE | 1 | C5 H4 Cl2 N2 O | InChI=1S/C5H4Cl2N2O/c1-9- 5(10)4(7)3(6)2-8-9/h2H,1H 3; ACKBTCUMGAHRIE-UHFFFAOYSA-N |
CN1N=CC(=C(Cl)C1=O)Cl; CN1C(=O)C(=C(C=N1 )Cl)Cl |
4,5-bis(chloranyl)-2-methyl-pyridazin-3-one |
| 15705 | A1ENF | 1 | C9 H10 N2 O | InChI=1S/C9H10N2O/c1-11-8 -3-2-7(10)4-6(8)5-9(11)12 /h2-4H,5,10H2,1H3; ZGLUKQQSWABKDH-UHFFFAOYSA-N |
CN1c2ccc(cc2CC1=O)N; CN1C(=O)Cc2cc(N)ccc 12 |
5-azanyl-1-methyl-3~{H}-indol-2-one |
| 15706 | A1ENG | 3 | C4 H3 F3 N2 O | InChI=1S/C4H3F3N2O/c5-4(6 ,7)2-1-3(10)9-8-2/h1H2,(H ,9,10); PMTWALQJNWEDLH-UHFFFAOYSA-N |
FC(F)(F)C1=NNC(=O)C1; C1C(=NNC1=O)C(F)(F )F |
3-(trifluoromethyl)-1,4-dihydropyrazol-5-one |
| 15707 | A1ENH | 1 | C10 H14 N2 O | InChI=1S/C10H14N2O/c13-8- 9-3-4-11-10(7-9)12-5-1-2- 6-12/h3-4,7,13H,1-2,5-6,8 H2; AGJOWKGAYXTDCC-UHFFFAOYSA-N |
c1cnc(cc1CO)N2CCCC2; OCc1ccnc(c1)N2CCCC2 | (2-pyrrolidin-1-ylpyridin-4-yl)methanol |
| 15708 | A1ENI | 4 | C18 H17 B N4 O5 | InChI=1S/C18H17BN4O5/c20- 7-11-2-1-3-12(6-11)14-9-2 3(22-21-14)8-13-4-5-15-17 (16(13)18(24)25)28-19(26) 10-27-15/h1-6,9,26H,7-8,1 0,20H2,(H,24,25); RZMXCKZSOHOQTR-UHFFFAOYSA-N |
NCc1cccc(c1)c2cn(Cc3ccc4OCB(O)Oc4c3C(O)= O)nn2; B1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(nn 3)c4cccc(c4)CN)O |
7-[[4-[3-(aminomethyl)phenyl]-1,2,3-triazol-1-yl]methyl]-2-oxidanyl-3~{H}-1,4,2-benzodioxaborinine-8-carboxylic acid |
| 15709 | A1ENJ | 1 | C8 H9 N O2 | InChI=1S/C8H9NO2/c1-5-2-3 -6(8(10)11)4-7(5)9/h2-4H, 9H2,1H3,(H,10,11); XKFIFYROMAAUDL-UHFFFAOYSA-N |
Cc1ccc(cc1N)C(=O)O; Cc1ccc(cc1N)C(O)=O | 3-azanyl-4-methyl-benzoic acid |
| 15710 | A1ENK | 1 | C6 H5 Cl N2 O3 | InChI=1S/C6H5ClN2O3/c1-12 -6(11)3-2-4(7)8-9-5(3)10/ h2H,1H3,(H,9,10); WHXBMYDYRJIIMD-UHFFFAOYSA-N |
COC(=O)C1=CC(=NNC1=O)Cl | methyl 3-chloranyl-6-oxidanylidene-1~{H}-pyridazine-5-carboxylate |
| 15711 | A1ENL | 4 | C15 H13 B N3 O6 S | InChI=1S/C15H13BN3O6S/c20 -15(21)13-9(3-4-11-14(13) 25-16(22,23)8-24-11)6-19- 7-10(17-18-19)12-2-1-5-26 -12/h1-5,7,22-23H,6,8H2,( H,20,21)/q-1; FDTCVAUEKIBKHD-UHFFFAOYSA-N |
OC(=O)c1c(Cn2cc(nn2)c3sccc3)ccc4OC[B-](O )(O)Oc14; [B-]1(COc2ccc(c(c2O1)C(=O)O)Cn 3cc(nn3)c4cccs4)(O)O |
3,3-bis(oxidanyl)-9-[(4-thiophen-2-yl-1,2,3-triazol-1-yl)methyl]-2,5-dioxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid |
| 15712 | A1ENM | 2 | C13 H14 B N2 O6 | InChI=1S/C13H14BN2O6/c1-8 -4-15-16(5-8)6-9-2-3-10-1 2(11(9)13(17)18)22-14(19, 20)7-21-10/h2-5,19-20H,6- 7H2,1H3,(H,17,18)/q-1; QNYKHWXDBHIASO-UHFFFAOYSA-N |
[B-]1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(cn3)C) (O)O; Cc1cnn(Cc2ccc3OC[B-](O)(O)Oc3c2C(O )=O)c1 |
9-[(4-methylpyrazol-1-yl)methyl]-3,3-bis(oxidanyl)-2,5-dioxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid |
| 15713 | A1ENN | 8 | C20 H31 Br N2 O2 | InChI=1S/C20H31BrN2O2/c1- 13(2)14-7-8-17(16(21)9-14 )25-12-18(24)22-15-10-19( 3,4)23-20(5,6)11-15/h7-9, 13,15,23H,10-12H2,1-6H3,( H,22,24); OTTDLWFVHQYRDA-UHFFFAOYSA-N |
CC(C)c1ccc(c(c1)Br)OCC(=O)NC2CC(NC(C2)(C )C)(C)C; CC(C)c1ccc(OCC(=O)NC2CC(C)(C)NC (C)(C)C2)c(Br)c1 |
2-(2-bromanyl-4-propan-2-yl-phenoxy)-~{N}-(2,2,6,6-tetramethylpiperidin-4-yl)ethanamide |
| 15714 | A1ENO | 2 | C10 H16 N2 | InChI=1S/C10H16N2/c1-12(9 -5-8-11)10-6-3-2-4-7-10/h 2-4,6-7H,5,8-9,11H2,1H3; WGHBKYWUOOANEX-UHFFFAOYSA-N |
CN(CCCN)c1ccccc1 | N'-methyl-N'-phenyl-propane-1,3-diamine |
| 15715 | A1ENP | 1 | C12 H18 O2 | InChI=1S/C12H18O2/c13-11( 14)7-12-4-8-1-9(5-12)3-10 (2-8)6-12/h8-10H,1-7H2,(H ,13,14)/t8-,9+,10-,12-; AOTQGWFNFTVXNQ-GOCCLTDMSA-N |
C1C2CC3CC1CC(C2)(C3)CC(=O)O; OC(=O)CC12C C3CC(CC(C3)C1)C2 |
1-Adamantylacetic acid; 2-(1-adamantyl)ethanoic acid |
| 15716 | A1ENR | 3 | C19 H22 Br N O S | InChI=1S/C19H22BrNOS/c1-3 -14(2)16-6-10-18(11-7-16) 21-19(22)13-23-12-15-4-8- 17(20)9-5-15/h4-11,14H,3, 12-13H2,1-2H3,(H,21,22)/t 14-/m0/s1; QKUYZJOTWYRWNF-AWEZNQCLSA-N |
CC[CH](C)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 ; CC[C@H](C)c1ccc(NC(=O)CSCc2ccc(Br)cc2) cc1; CCC(C)c1ccc(cc1)NC(=O)CSCc2ccc(cc2) Br; CC[C@H](C)c1ccc(cc1)NC(=O)CSCc2ccc(c c2)Br |
2-[(4-bromophenyl)methylsulfanyl]-~{N}-[4-[(2~{S})-butan-2-yl]phenyl]ethanamide |
| 15717 | A1ENS CHEMBL4162576 |
1 | C17 H11 Cl2 N3 O2 | InChI=1S/C17H11Cl2N3O2/c1 8-11-4-7-16(21-10-11)24-1 5-6-5-12(9-13(15)19)22-17 (23)14-3-1-2-8-20-14/h1-1 0H,(H,22,23); MZRLPXFGQKQHST-UHFFFAOYSA-N |
Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1; c1ccnc(c1)C(=O)Nc2ccc(c(c2)Cl)Oc3ccc(cn 3)Cl |
~{N}-[3-chloranyl-4-(5-chloranylpyridin-2-yl)oxy-phenyl]pyridine-2-carboxamide |
| 15718 | A1ENT | 2 | C25 H20 N8 O | InChI=1S/C25H20N8O/c1-4-2 0(34)31-17-8-6-16(7-9-17) 22-18(21-23(26)28-13-29-2 5(21)33(22)3)10-5-15-11-1 9-24(27-12-15)32(2)14-30- 19/h4,6-9,11-14H,1H2,2-3H 3,(H,31,34)(H2,26,28,29); DICKGCNITDYTHW-UHFFFAOYSA-N |
Cn1cnc2cc(cnc12)C#Cc3c(n(C)c4ncnc(N)c34) c5ccc(NC(=O)C=C)cc5; Cn1cnc2c1ncc(c2)C#C c3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C=C)C)N |
~{N}-[4-[4-azanyl-7-methyl-5-[2-(3-methylimidazo[4,5-b]pyridin-6-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]prop-2-enamide |
| 15719 | A1ENU | 1 | C35 H30 N4 O4 | InChI=1S/C35H30N4O4/c1-3- 43-26-18-14-24(15-19-26)3 6-33(40)23-12-16-25(17-13 -23)38-34(41)30-20-28-27- 6-4-5-7-29(27)37-31(28)32 (39(30)35(38)42)22-10-8-2 1(2)9-11-22/h4-19,30,32,3 7H,3,20H2,1-2H3,(H,36,40) /t30-,32+/m0/s1; TWVNKXGXAVLXDQ-XDFJSJKPSA-N |
CCOc1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)C4Cc 5c6ccccc6[nH]c5C(N4C3=O)c7ccc(cc7)C; CCO c1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)[C@@H]4 Cc5c6ccccc6[nH]c5[C@H](N4C3=O)c7ccc(cc7) C; CCOc1ccc(NC(=O)c2ccc(cc2)N3C(=O)[C@@H ]4Cc5c([nH]c6ccccc56)[C@H](N4C3=O)c7ccc( C)cc7)cc1; CCOc1ccc(NC(=O)c2ccc(cc2)N3C( =O)[CH]4Cc5c([nH]c6ccccc56)[CH](N4C3=O)c 7ccc(C)cc7)cc1 |
~{N}-(4-ethoxyphenyl)-4-[(10~{R},15~{S})-10-(4-methylphenyl)-12,14-bis(oxidanylidene)-8,11,13-triazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(9),2,4,6-tetraen-13-yl]benzamide |
| 15720 | A1ENX | 2 | C19 H16 F N7 O S2 | InChI=1S/C19H16FN7OS2/c20 -12-8-22-18(25-16(12)11-1 -2-14-13(7-11)24-10-29-14 )26-19-23-9-15(30-19)17(2 8)27-5-3-21-4-6-27/h1-2,7 -10,21H,3-6H2,(H,22,23,25 ,26); OEDROIFJDAHTCX-UHFFFAOYSA-N |
Fc1cnc(Nc2sc(cn2)C(=O)N3CCNCC3)nc1c4ccc5 scnc5c4; c1cc2c(cc1c3c(cnc(n3)Nc4ncc(s4) C(=O)N5CCNCC5)F)ncs2 |
[2-[[4-(1,3-benzothiazol-5-yl)-5-fluoranyl-pyrimidin-2-yl]amino]-1,3-thiazol-5-yl]-piperazin-1-yl-methanone |
| 15721 | A1ENY | 4 | C15 H19 B F N3 O5 | InChI=1S/C15H19BFN3O5/c17 -5-6-19-15(18)20-7-10(8-2 0)24-11-2-1-9-3-4-16(23)2 5-13(9)12(11)14(21)22/h1- 2,10,23H,3-8H2,(H2,18,19) (H,21,22); GBFZBMDALAIOHB-UHFFFAOYSA-N |
[H]/N=C(\NCCF)/N1CC(C1)Oc2ccc3c(c2C(=O)O )OB(CC3)O; B1(CCc2ccc(c(c2O1)C(=O)O)OC3C N(C3)C(=N)NCCF)O; OB1CCc2ccc(OC3CN(C3)C( =N)NCCF)c(C(O)=O)c2O1 |
7-[1-[~{N}-(2-fluoranylethyl)carbamimidoyl]azetidin-3-yl]oxy-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid |
| 15722 | A1EO4 | 14 | C28 H32 N7 O15 P2 | InChI=1S/C28H31N7O15P2/c1 -12-4-5-34(8-14(12)13-2-3 -15-17(6-13)49-28(40)32-1 5)26-23(38)21(36)18(47-26 )9-45-51(41,42)50-52(43,4 4)46-10-19-22(37)24(39)27 (48-19)35-11-30-20-16(35) 7-31-33-25(20)29/h2-8,11, 18-19,21-24,26-27,36-39H, 9-10H2,1H3,(H4-,29,32,33, 40,41,42,43,44)/p+1/t18-, 19+,21-,22+,23-,24+,26-,2 7+/m1/s1; GTUDWLPAEYWLMM-SVANQVPXSA-O |
Cc1cc[n+](cc1c2ccc3c(c2)OC(=O)N3)C4C(C(C (O4)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cn c7c6cnnc7N)O)O)O)O; Cc1cc[n+](cc1c2ccc3N C(=O)Oc3c2)[CH]4O[CH](CO[P](O)(=O)O[P](O )(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c( N)nncc67)[CH](O)[CH]4O; Cc1cc[n+](cc1c2c cc3NC(=O)Oc3c2)[C@@H]4O[C@H](CO[P](O)(=O )O[P](O)(=O)OC[C@@H]5O[C@@H]([C@@H](O)[C @H]5O)n6cnc7c(N)nncc67)[C@@H](O)[C@H]4O; Cc1cc[n+](cc1c2ccc3c(c2)OC(=O)N3)[C@H]4 [C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)( O)OC[C@H]5[C@@H]([C@@H]([C@H](O5)n6cnc7c 6cnnc7N)O)O)O)O |
[[(2~{S},3~{R},4~{S},5~{S})-5-(4-azanylimidazo[4,5-d]pyridazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-methyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 15723 | A1EO9 CHEMBL504363 |
2 | C29 H36 O15 | InChI=1S/C29H36O15/c1-13- 22(35)23(36)25(38)29(42-1 3)41-12-20-27(44-21(34)7- 4-14-2-5-16(30)18(32)10-1 4)24(37)26(39)28(43-20)40 -9-8-15-3-6-17(31)19(33)1 1-15/h2-7,10-11,13,20,22- 33,35-39H,8-9,12H2,1H3/b7 -4+/t13-,20+,22-,23+,24+, 25+,26+,27+,28+,29+/m0/s1; DTOUWTJYUCZJQD-UJERWXFOSA-N |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCc3ccc(c( c3)O)O)O)O)OC(=O)C=Cc4ccc(c(c4)O)O)O)O)O ; C[CH]1O[CH](OC[CH]2O[CH](OCCc3ccc(O)c( O)c3)[CH](O)[CH](O)[CH]2OC(=O)C=Cc4ccc(O )c(O)c4)[CH](O)[CH](O)[CH]1O; C[C@H]1[C@ @H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H] ([C@@H]([C@H]([C@@H](O2)OCCc3ccc(c(c3)O) O)O)O)OC(=O)/C=C/c4ccc(c(c4)O)O)O)O)O; C [C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc( O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)\ C=C\c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H] 1O |
Forsythiaside A ; [(2R,3S,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate |
| 15724 | A1EOA CHEMBL564300 |
1 | C14 H13 N3 O2 S2 | InChI=1S/C14H13N3O2S2/c18 -14(19)12-5-13(16-15-12)1 7(6-10-1-3-20-8-10)7-11-2 -4-21-9-11/h1-5,8-9H,6-7H 2,(H,15,16)(H,18,19); SQUDZZYXGWLQLZ-UHFFFAOYSA-N |
c1cscc1CN(Cc2ccsc2)c3cc([nH]n3)C(=O)O; O C(=O)c1[nH]nc(c1)N(Cc2cscc2)Cc3cscc3 |
3-[bis(thiophen-3-ylmethyl)amino]-1~{H}-pyrazole-5-carboxylic acid |
| 15725 | A1EOD | 2 | C10 H18 N3 O14 P3 | InChI=1S/C10H18N3O14P3/c1 1-9-5(3-14)2-13(10(16)12- 9)8-1-6(15)7(25-8)4-24-29 (20,21)27-30(22,23)26-28( 17,18)19/h2,6-8,14-15H,1, 3-4H2,(H,20,21)(H,22,23)( H2,11,12,16)(H2,17,18,19) /t6-,7+,8+/m0/s1; DLHNIFPAUZVLLA-XLPZGREQSA-N |
C1C(C(OC1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O P(=O)(O)OP(=O)(O)O)O; C1[C@@H]([C@H](O[C @H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)OP(=O) (O)OP(=O)(O)O)O; NC1=NC(=O)N(C=C1CO)[CH] 2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P ](O)(O)=O)O2; NC1=NC(=O)N(C=C1CO)[C@H]2C [C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[ P](O)(O)=O)O2 |
[[(2R,3S,5R)-5-[4-azanyl-5-(hydroxymethyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate; 2'-deoxy-5-hydroxymethyl-CTP |
| 15726 | A1EOE | 1 | C31 H37 N5 O3 | InChI=1S/C31H37N5O3/c1-35 -12-13-36-21(18-35)19-39- 29-17-26(32)24(16-28(29)3 6)30(37)34-31(10-11-31)25 -6-7-27(23-5-3-2-4-22(23) 25)33-20-8-14-38-15-9-20/ h2-7,16-17,20-21,33H,8-15 ,18-19,32H2,1H3,(H,34,37) /t21-/m0/s1; IFYKCXWVMYHVGS-NRFANRHFSA-N |
CN1CCN2c3cc(c(cc3OC[C@@H]2C1)N)C(=O)NC4( CC4)c5ccc(c6c5cccc6)NC7CCOCC7; CN1CCN2c3 cc(c(cc3OCC2C1)N)C(=O)NC4(CC4)c5ccc(c6c5 cccc6)NC7CCOCC7; CN1CCN2[CH](COc3cc(N)c( cc23)C(=O)NC4(CC4)c5ccc(NC6CCOCC6)c7cccc c57)C1; CN1CCN2[C@H](COc3cc(N)c(cc23)C(= O)NC4(CC4)c5ccc(NC6CCOCC6)c7ccccc57)C1 |
(4~{a}~{S})-8-azanyl-3-methyl-~{N}-[1-[4-(oxan-4-ylamino)naphthalen-1-yl]cyclopropyl]-2,4,4~{a},5-tetrahydro-1~{H}-pyrazino[2,1-c][1,4]benzoxazine-9-carboxamide |
| 15727 | A1EOF | 1 | C11 H11 N3 | InChI=1S/C11H11N3/c12-6-1 1-7-13-9-14(11)8-10-4-2-1 -3-5-10/h1-7,9,12H,8H2/b1 2-6+; AMOQDSYRPZELAU-WUXMJOGZSA-N |
[H]/N=C/c1cncn1Cc2ccccc2; c1ccc(cc1)Cn2c ncc2C=N; N=Cc1cncn1Cc2ccccc2 |
[3-(phenylmethyl)imidazol-4-yl]methanimine |
| 15728 | A1EOH | 2 | C21 H21 N7 O3 | InChI=1S/C21H21N7O3/c1-26 -3-4-30-5-6-31-20-17(16-1 1-24-27(2)13-16)8-19-23-1 2-18(28(19)25-20)14-7-15( 21(26)29)10-22-9-14/h7-13 H,3-6H2,1-2H3; BDJJYDPCXTYVGV-UHFFFAOYSA-N |
Cn1cc(cn1)c2cc3ncc-4n3nc2OCCOCCN(C(=O)c5 cc4cnc5)C; CN1CCOCCOc2nn3c(cc2c4cnn(C)c4 )ncc3c5cncc(c5)C1=O |
(E)-4-methyl-17-(1-methyl-1H-pyrazol-4-yl)-7,10-dioxa-4-aza-1(3,6)-imidazo[1,2-b]pyridazina-2(3,5)-pyridinacyclodecaphan-3-one |
| 15729 | A1EOJ | 2 | C27 H31 N7 O3 | InChI=1S/C27H31N7O3/c1-31 -8-6-22(7-9-31)33-18-21(1 6-29-33)23-15-25-28-17-24 -19-4-3-5-20(14-19)27(35) 32(2)10-11-36-12-13-37-26 (23)30-34(24)25/h3-5,14-1 8,22H,6-13H2,1-2H3; ZAIKDCANYQKQAE-UHFFFAOYSA-N |
CN1CCC(CC1)n2cc(cn2)c3cc4ncc-5n4nc3OCCOC CN(C(=O)c6cccc5c6)C; CN1CCC(CC1)n2cc(cn2 )C3=Cc4ncc5n4N=C3OCCOCCN(C)C(=O)c6cccc5c 6 |
(E)-4-methyl-17-(1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)-7,10-dioxa-4-aza-1(3,6)-imidazo[1,2-b]pyridazina-2(1,3)-benzenacyclodecaphan-3-one |
| 15730 | A1EOP | 0 | C4 H6 O3 | InChI=1S/C4H6O3/c5-3-1-4( 6)7-2-3/h3,5H,1-2H2/t3-/m 1/s1; FUDDLSHBRSNCBV-GSVOUGTGSA-N |
O[CH]1COC(=O)C1; C1[C@H](COC1=O)O; O[C@H ]1COC(=O)C1; C1C(COC1=O)O |
(4~{R})-4-oxidanyloxolan-2-one |
| 15731 | A1EOQ | 2 | C10 H16 O8 | InChI=1S/C10H16O8/c11-2-5 -7(13)8(14)9(15)10(18-5)1 7-4-1-6(12)16-3-4/h4-5,7- 11,13-15H,1-3H2/t4-,5-,7- ,8+,9-,10-/m1/s1; MQEPWBMWFIVRPS-ZGSHZZHUSA-N |
C1[C@H](COC1=O)O[C@H]2[C@@H]([C@H]([C@@H ]([C@H](O2)CO)O)O)O; C1C(COC1=O)OC2C(C(C (C(O2)CO)O)O)O; OC[CH]1O[CH](O[CH]2COC(= O)C2)[CH](O)[CH](O)[CH]1O; OC[C@H]1O[C@@ H](O[C@H]2COC(=O)C2)[C@H](O)[C@@H](O)[C@ @H]1O |
Kinsenoside; (4R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one |
| 15732 | A1EOR | 4 | C16 H21 N3 O6 S | InChI=1S/C16H21N3O6S/c1-1 6(2)11(15(24)25)19-13(26- 16)10(14(22)23)18-12(21)9 (17)7-3-5-8(20)6-4-7/h3-6 ,9-11,13,19-20H,17H2,1-2H 3,(H,18,21)(H,22,23)(H,24 ,25)/t9-,10+,11+,13-/m1/s 1; LHHKJQFIKHAUIA-MPPDQPJWSA-N |
CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O) [C@H](N)c2ccc(O)cc2)C(O)=O; CC1(C(NC(S1) C(C(=O)O)NC(=O)C(c2ccc(cc2)O)N)C(=O)O)C; CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(= O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C; CC1(C)S [CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2cc c(O)cc2)C(O)=O |
(2~{R},4~{S})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid; Amoxicilloic acid |
| 15733 | A1EPE | 2 | C27 H30 N8 O2 | InChI=1S/C27H30N8O2/c1-3- 25(36)31-19-4-5-20-22(17- 33(2)24(20)12-19)21-14-28 -27-26(21)32-23(15-29-27) 18-13-30-35(16-18)7-6-34- 8-10-37-11-9-34/h4-5,12-1 7H,3,6-11H2,1-2H3,(H,28,2 9)(H,31,36); DBNYONJTINHFCI-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2c(c1)n(C)cc2c3c[nH]c4ncc(n c34)c5cnn(CCN6CCOCC6)c5; CCC(=O)Nc1ccc2c (c1)n(cc2c3c[nH]c4c3nc(cn4)c5cnn(c5)CCN6 CCOCC6)C |
~{N}-[1-methyl-3-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5~{H}-pyrrolo[2,3-b]pyrazin-7-yl]indol-6-yl]propanamide |
| 15734 | A1EPF | 2 | C29 H31 N7 O2 | InChI=1S/C29H31N7O2/c1-3- 28(37)32-21-7-8-22-24(19- 34(2)27(22)15-21)23-5-4-6 -25-29(23)33-26(17-30-25) 20-16-31-36(18-20)10-9-35 -11-13-38-14-12-35/h4-8,1 5-19H,3,9-14H2,1-2H3,(H,3 2,37); MZNNPOZDHTXUDT-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2c(c1)n(C)cc2c3cccc4ncc(nc3 4)c5cnn(CCN6CCOCC6)c5; CCC(=O)Nc1ccc2c(c 1)n(cc2c3cccc4c3nc(cn4)c5cnn(c5)CCN6CCOC C6)C |
~{N}-[1-methyl-3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-5-yl]indol-6-yl]propanamide |
| 15735 | A1EPQ | 2 | C47 H58 F2 N4 O10 | InChI=1S/C47H58F2N4O10/c1 -9-43(57)21-26-22-46(41(5 5)61-7,37-27(12-16-52(23- 26)24-43)34-31(50-37)19-3 0(48)35(49)36(34)60-6)29- 18-28-32(20-33(29)59-5)51 (4)39-45(28)14-17-53-15-1 1-13-44(10-2,38(45)53)40( 63-25(3)54)47(39,58)42(56 )62-8/h11,13,18-20,26,38- 40,50,57-58H,9-10,12,14-1 7,21-24H2,1-8H3/t26-,38-, 39+,40+,43-,44+,45+,46-,4 7-/m0/s1; VGIXSHDRLZHSPP-PEAUBOKCSA-N |
CC[C@@]1(C[C@H]2C[C@@](c3c(c4c([nH]3)cc( c(c4OC)F)F)CC[N@](C2)C1)(c5cc6c(cc5OC)N( [C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H ]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC) O; CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4 cc(F)c(F)c(OC)c34)[C@@](C2)(C(=O)OC)c5cc 6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(C)=O )[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC) C1; CCC1(CC2CC(c3c(c4c([nH]3)cc(c(c4OC)F )F)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8 C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C)C(= O)OC)O; CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4 cc(F)c(F)c(OC)c34)[C](C2)(C(=O)OC)c5cc6c (cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8 (CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1 |
10',11'-difluoro-12'-methoxyvinblastine |
| 15736 | A1EPR | 2 | C46 H57 F N4 O9 | InChI=1S/C46H57FN4O9/c1-8 -42(55)22-27-23-45(40(53) 58-6,36-30(13-17-50(24-27 )25-42)29-12-11-28(47)19- 33(29)48-36)32-20-31-34(2 1-35(32)57-5)49(4)38-44(3 1)15-18-51-16-10-14-43(9- 2,37(44)51)39(60-26(3)52) 46(38,56)41(54)59-7/h10-1 2,14,19-21,27,37-39,48,55 -56H,8-9,13,15-18,22-25H2 ,1-7H3/t27-,37-,38+,39+,4 2-,43+,44+,45-,46-/m0/s1; OXGDRUKFSDFSBK-FXDREALHSA-N |
CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4cc( F)ccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N (C)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC) C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1; CCC1(C C2CC(c3c(c4ccc(cc4[nH]3)F)CCN(C2)C1)(c5c c6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(= O)OC)O)OC(=O)C)CC)C)C(=O)OC)O; CC[C]1(O) C[CH]2C[N](CCc3c([nH]c4cc(F)ccc34)[C](C2 )(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([ CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89) C(=O)OC)C1; CC[C@@]1(C[C@H]2C[C@@](c3c(c 4ccc(cc4[nH]3)F)CC[N@](C2)C1)(c5cc6c(cc5 OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9) ([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(= O)OC)O |
10'-fluorovinblastine |
| 15737 | A1EPS | 2 | C46 H57 Br N4 O9 | InChI=1S/C46H57BrN4O9/c1- 8-42(55)22-27-23-45(40(53 )58-6,36-30(13-17-50(24-2 7)25-42)29-12-11-28(47)19 -33(29)48-36)32-20-31-34( 21-35(32)57-5)49(4)38-44( 31)15-18-51-16-10-14-43(9 -2,37(44)51)39(60-26(3)52 )46(38,56)41(54)59-7/h10- 12,14,19-21,27,37-39,48,5 5-56H,8-9,13,15-18,22-25H 2,1-7H3/t27-,37-,38+,39+, 42+,43+,44+,45-,46-/m0/s1; PJAIQJLSJBDVQY-NTLGHQMTSA-N |
CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(Br)cc c34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH ]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C ]67[CH]89)C(=O)OC)C1; CC[C@@]1(O)C[C@@H] 2C[N@@](CCc3c([nH]c4cc(Br)ccc34)[C@@](C2 )(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O) ([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C @H]89)C(=O)OC)C1; CCC1(CC2CC(c3c(c4ccc(c c4[nH]3)Br)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C 68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C) CC)C)C(=O)OC)O; CC[C@@]1(C[C@H]2C[C@@](c 3c(c4ccc(cc4[nH]3)Br)CC[N@](C2)C1)(c5cc6 c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C =CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC) C)C(=O)OC)O |
10'-bromovinblastine |
| 15738 | A1EPT | 2 | C47 H60 N4 O10 | InChI=1S/C47H60N4O10/c1-9 -43(55)23-28-24-46(41(53) 59-7,37-31(14-18-50(25-28 )26-43)30-13-12-29(57-5)2 0-34(30)48-37)33-21-32-35 (22-36(33)58-6)49(4)39-45 (32)16-19-51-17-11-15-44( 10-2,38(45)51)40(61-27(3) 52)47(39,56)42(54)60-8/h1 1-13,15,20-22,28,38-40,48 ,55-56H,9-10,14,16-19,23- 26H2,1-8H3/t28-,38-,39+,4 0+,43-,44+,45+,46-,47-/m0 /s1; ZHXGWQQGBFGQPC-SYWRHQDJSA-N |
CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(OC)cc c34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH ]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C ]67[CH]89)C(=O)OC)C1; CC[C@@]1(C[C@H]2C[ C@@](c3c(c4ccc(cc4[nH]3)OC)CC[N@](C2)C1) (c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[ C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O )C)CC)C)C(=O)OC)O; CC[C@]1(O)C[C@@H]2C[N @@](CCc3c([nH]c4cc(OC)ccc34)[C@@](C2)(C( =O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@ H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]8 9)C(=O)OC)C1; CCC1(CC2CC(c3c(c4ccc(cc4[n H]3)OC)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CC N9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C )C(=O)OC)O |
10'-methoxyvinblastine |
| 15739 | A1EPX CHEMBL408701 |
2 | C26 H45 N O5 S | InChI=1S/C26H45NO5S/c1-17 (4-9-24(29)27-14-15-33(30 ,31)32)21-7-8-22-20-6-5-1 8-16-19(28)10-12-25(18,2) 23(20)11-13-26(21,22)3/h1 7-23,28H,4-16H2,1-3H3,(H, 27,29)(H,30,31,32)/t17-,1 8-,19-,20+,21-,22+,23+,25 +,26-/m1/s1; QBYUNVOYXHFVKC-GBURMNQMSA-N |
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C CC4C3(CCC(C4)O)C)C; C[CH](CCC(=O)NCC[S]( O)(=O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O )CC[C]4(C)[CH]3CC[C]12C; C[C@H](CCC(=O)N CC[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C @@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C; C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@ @H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3( CC[C@H](C4)O)C)C |
Taurolithocholic Acid |
| 15740 | A1EPZ | 13 | C21 H33 F3 N4 O5 | InChI=1S/C21H33F3N4O5/c1- 11(2)8-14(17(31)26-13(10- 29)9-12-6-7-25-16(12)30)2 7-18(32)15(20(3,4)5)28-19 (33)21(22,23)24/h10-15H,6 -9H2,1-5H3,(H,25,30)(H,26 ,31)(H,27,32)(H,28,33)/t1 2-,13-,14-,15+/m0/s1; VGGJCVPJPFWPCA-ZQDZILKHSA-N |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C(F)(F)F) C(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C= O; CC(C)C[CH](NC(=O)[CH](NC(=O)C(F)(F)F) C(C)(C)C)C(=O)N[CH](C[CH]1CCNC1=O)C=O; C C(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)C(C( C)(C)C)NC(=O)C(F)(F)F; CC(C)C[C@@H](C(=O )N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)[C@H] (C(C)(C)C)NC(=O)C(F)(F)F |
(2~{S})-2-[[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide |
| 15741 | A1EQ3 | 1 | C27 H46 O3 | InChI=1S/C27H46O3/c1-17(1 6-28)6-5-7-18(2)21-8-9-22 -25-23(11-13-27(21,22)4)2 6(3)12-10-20(29)14-19(26) 15-24(25)30/h15,17-18,20- 25,28-30H,5-14,16H2,1-4H3 /t17-,18-,20+,21-,22+,23+ ,24+,25+,26+,27-/m1/s1; RXMHNAKZMGJANZ-BMOLSTJGSA-N |
C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@ @H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@ H]3CC[C@]12C; C[C@H](CCC[C@@H](C)[C@H]1C C[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[ C@@]3(CC[C@@H](C4)O)C)O)C)CO; C[CH](CO)C CC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C=C4C[C H](O)CC[C]4(C)[CH]3CC[C]12C; CC(CCCC(C)C 1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)CO |
(3~{S},7~{R},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R},6~{R})-6-methyl-7-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,7-diol; 7beta,27-Dihydroxycholesterol |
| 15742 | A1EQ8 CHEMBL451717 |
1 | C20 H42 O | InChI=1S/C20H42O/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15-16-17-18-19-20-21/h21 H,2-20H2,1H3; BTFJIXJJCSYFAL-UHFFFAOYSA-N |
CCCCCCCCCCCCCCCCCCCCO | icosan-1-ol |
| 15743 | A1EQ9 | 0 | C30 H33 N5 O7 | InChI=1S/C30H33N5O7/c1-4- 18-19-12-17(42-29(39)31-1 4-25(36)34-10-8-33(3)9-11 -34)6-7-23(19)32-26-20(18 )15-35-24(26)13-22-21(27( 35)37)16-41-28(38)30(22,4 0)5-2/h6-7,12-13,40H,4-5, 8-11,14-16H2,1-3H3,(H,31, 39)/t30-/m0/s1; VULZRDFNTXNECE-PMERELPUSA-N |
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)NC C(=O)N6CCN(C)CC6)cc15)[C](O)(CC)C(=O)OC4 ; CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O) NCC(=O)N6CCN(C)CC6)cc15)[C@@](O)(CC)C(=O )OC4; CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O )COC(=O)[C@@]5(CC)O)OC(=O)NCC(=O)N6CCN(C C6)C; CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O )COC(=O)C5(CC)O)OC(=O)NCC(=O)N6CCN(CC6)C |
(S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl (2-(4-methylpiperazin-1-yl)-2-oxoethyl)carbamate |
| 15744 | A1EQF | 0 | C16 H22 Mn N4 O9 | InChI=1S/C16H25N4O9.Mn/c2 1-11(17-3-4-20-12(22)1-2- 13(20)23)7-18(8-14(24)25) 5-6-19(9-15(26)27)10-16(2 8)29;/h11,17H,1-10H2,(H,2 4,25)(H,26,27)(H,28,29);/ q-1;+4/p-3/t11-;/m0./s1; MONZMKOQRHPWJD-MERQFXBCSA-K |
O=C1C[N@]2CCN3CC(=O)O[Mn](O[C@@H](C2)NCC N4C(=O)CCC4=O)(O1)OC(=O)C3; C1CC(=O)N(C1 =O)CCNC2CN3CCN4CC(=O)O[Mn](O2)(OC(=O)C3) OC(=O)C4; C1CC(=O)N(C1=O)CCN[C@@H]2C[N@@ ]3CCN4CC(=O)O[Mn](O2)(OC(=O)C3)OC(=O)C4; O=C1C[N]2CCN3CC(=O)O[Mn](O[CH](C2)NCCN4 C(=O)CCC4=O)(O1)OC(=O)C3 |
(5~{S},16~{S})-16-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2,11,12,17-tetraoxa-5,8-diaza-1$l^{4}-manganatricyclo[6.3.3.3^{1,5}]heptadecane-3,10,13-trione |
| 15745 | A1EQH | 1 | C21 H17 F2 N3 O4 S | InChI=1S/C21H17F2N3O4S/c1 -2-24-18-10-13(22)11-19-2 0(18)25-21(27)26(19)14-6- 8-15(9-7-14)30-16-4-3-5-1 7(12-16)31(23,28)29/h3-12 ,24H,2H2,1H3,(H,25,27); SOZNBDVDUWCDFT-UHFFFAOYSA-N |
CCNc1cc(cc2c1NC(=O)N2c3ccc(cc3)Oc4cccc(c 4)S(=O)(=O)F)F; CCNc1cc(F)cc2N(C(=O)Nc12 )c3ccc(Oc4cccc(c4)[S](F)(=O)=O)cc3 |
3-[4-[4-(ethylamino)-6-fluoranyl-2-oxidanylidene-3H-benzimidazol-1-yl]phenoxy]benzenesulfonyl fluoride |
| 15746 | A1EQI | 1 | C23 H26 Cl F N4 O3 | InChI=1S/C23H26ClFN4O3/c1 -3-26-19-10-13(25)9-17-20 (19)28-22(32)23(17,2)29-8 -4-5-15(12-29)27-14-6-7-1 6(21(30)31)18(24)11-14/h6 -7,9-11,15,26-27H,3-5,8,1 2H2,1-2H3,(H,28,32)(H,30, 31)/t15-,23+/m1/s1; IVLYNRUVQRISEI-CMJOXMDJSA-N |
CCNc1cc(cc2c1NC(=O)C2(C)N3CCCC(C3)Nc4ccc (c(c4)Cl)C(=O)O)F; CCNc1cc(F)cc2c1NC(=O) [C]2(C)N3CCC[CH](C3)Nc4ccc(C(O)=O)c(Cl)c 4; CCNc1cc(cc2c1NC(=O)[C@@]2(C)N3CCC[C@H ](C3)Nc4ccc(c(c4)Cl)C(=O)O)F; CCNc1cc(F) cc2c1NC(=O)[C@@]2(C)N3CCC[C@H](C3)Nc4ccc (C(O)=O)c(Cl)c4 |
2-chloranyl-4-[[(3R)-1-[(3S)-7-(ethylamino)-5-fluoranyl-3-methyl-2-oxidanylidene-1H-indol-3-yl]piperidin-3-yl]amino]benzoic acid |
| 15747 | A1EQJ | 1 | C25 H33 F N6 O2 | InChI=1S/C25H33FN6O2/c1-3 -25(19-8-17(26)9-20(28-4- 2)21(19)30-23(25)34)32-7- 5-6-18(12-32)29-22(33)16- 10-24(11-16)13-31(14-24)1 5-27/h8-9,16,18,28H,3-7,1 0-14H2,1-2H3,(H,29,33)(H, 30,34)/t18-,25+/m1/s1; SXYDOCWKRRIRAC-CJAUYULYSA-N |
CCNc1cc(F)cc2c1NC(=O)[C@@]2(CC)N3CCC[C@H ](C3)NC(=O)C4CC5(C4)CN(C5)C#N; CC[C@@]1( c2cc(cc(c2NC1=O)NCC)F)N3CCC[C@H](C3)NC(= O)C4CC5(C4)CN(C5)C#N; CCNc1cc(F)cc2c1NC( =O)[C]2(CC)N3CCC[CH](C3)NC(=O)C4CC5(C4)C N(C5)C#N; CCC1(c2cc(cc(c2NC1=O)NCC)F)N3C CCC(C3)NC(=O)C4CC5(C4)CN(C5)C#N |
2-cyano-N-[(3R)-1-[(3S)-3-ethyl-7-(ethylamino)-5-fluoranyl-2-oxidanylidene-1H-indol-3-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide |
| 15748 | A1EQM | 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-/m1/s1; RMYPEYHEPIZYDJ-SNVBAGLBSA-N |
CCOc1ccc(C[CH](N)C(O)=O)cc1; CCOc1ccc(cc 1)C[C@H](C(=O)O)N; CCOc1ccc(cc1)CC(C(=O) O)N; CCOc1ccc(C[C@@H](N)C(O)=O)cc1 |
O-Ethyl-D-tyrosine |
| 15749 | A1EQN | 2 | C42 H49 N5 O5 | InChI=1S/C42H49N5O5/c1-30 (32-16-8-3-9-17-32)43-40( 49)36(28-38(48)45-26-22-3 4(23-27-45)44-24-12-5-13- 25-44)46-35(21-20-31-14-6 -2-7-15-31)39(41(46)50)47 -37(29-52-42(47)51)33-18- 10-4-11-19-33/h2-4,6-11,1 4-21,30,34-37,39H,5,12-13 ,22-29H2,1H3,(H,43,49)/b2 1-20+/t30-,35-,36-,37-,39 +/m1/s1; FJUKOXWSIGULLE-JVOQCOEYSA-N |
CC(c1ccccc1)NC(=O)C(CC(=O)N2CCC(CC2)N3CC CCC3)N4C(C(C4=O)N5C(COC5=O)c6ccccc6)C=Cc 7ccccc7; C[CH](NC(=O)[CH](CC(=O)N1CCC(CC 1)N2CCCCC2)N3[CH](C=Cc4ccccc4)[CH](N5[CH ](COC5=O)c6ccccc6)C3=O)c7ccccc7; C[C@@H] (NC(=O)[C@@H](CC(=O)N1CCC(CC1)N2CCCCC2)N 3[C@H](\C=C\c4ccccc4)[C@H](N5[C@H](COC5= O)c6ccccc6)C3=O)c7ccccc7; C[C@H](c1ccccc 1)NC(=O)[C@@H](CC(=O)N2CCC(CC2)N3CCCCC3) N4[C@@H]([C@@H](C4=O)N5[C@H](COC5=O)c6cc ccc6)/C=C/c7ccccc7 |
SRX246 |
| 15750 | A1EQR | 1 | C19 H22 F N5 O5 S | InChI=1S/C19H22FN5O5S/c20 -13-7-11(8-15(26)17(13)25 -10-16(27)24-31(25,29)30) 14-9-21-18(23-14)19(28)22 -12-5-3-1-2-4-6-12/h7-9,1 2,26H,1-6,10H2,(H,21,23)( H,22,28)(H,24,27); RYAIQNKSHNFQJM-UHFFFAOYSA-N |
c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3c[nH] c(n3)C(=O)NC4CCCCCC4; Oc1cc(cc(F)c1N2CC( =O)N[S]2(=O)=O)c3c[nH]c(n3)C(=O)NC4CCCCC C4 |
~{N}-cycloheptyl-4-[3-fluoranyl-5-oxidanyl-4-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]phenyl]-1~{H}-imidazole-2-carboxamide |
| 15751 | A1EQT | 1 | C26 H29 N7 O2 S | InChI=1S/C26H29N7O2S/c1-5 -19-20(14-28)26(36-23(24( 29)35)17-9-7-6-8-10-17)30 -25-22(19)18(13-27)15-33( 25)16-21(34)32(4)12-11-31 (2)3/h6-10,15,23H,5,11-12 ,16H2,1-4H3,(H2,29,35)/t2 3-/m1/s1; AMASMFBGMPXKIB-HSZRJFAPSA-N |
CCc1c(c(nc2c1c(cn2CC(=O)N(C)CCN(C)C)C#N) S[C@H](c3ccccc3)C(=O)N)C#N; CCc1c(C#N)c( S[CH](C(N)=O)c2ccccc2)nc3n(CC(=O)N(C)CCN (C)C)cc(C#N)c13; CCc1c(C#N)c(S[C@@H](C(N )=O)c2ccccc2)nc3n(CC(=O)N(C)CCN(C)C)cc(C #N)c13; CCc1c(c(nc2c1c(cn2CC(=O)N(C)CCN( C)C)C#N)SC(c3ccccc3)C(=O)N)C#N |
(2~{R})-2-[3,5-dicyano-1-[2-[2-(dimethylamino)ethyl-methyl-amino]-2-oxidanylidene-ethyl]-4-ethyl-pyrrolo[2,3-b]pyridin-6-yl]sulfanyl-2-phenyl-ethanamide |
| 15752 | A1EQV CHEMBL278623 DB13074 |
1 | C26 H30 N6 O3 | InChI=1S/C26H30N6O3/c1-26 (2,27)25(35)31-22(11-16-1 3-28-20-9-5-3-7-18(16)20) 24(34)32-23(30-15-33)12-1 7-14-29-21-10-6-4-8-19(17 )21/h3-10,13-15,22-23,28- 29H,11-12,27H2,1-2H3,(H,3 0,33)(H,31,35)(H,32,34)/t 22-,23-/m1/s1; UJVDJAPJQWZRFR-DHIUTWEWSA-N |
CC(C)(N)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(= O)N[CH](Cc3c[nH]c4ccccc34)NC=O; CC(C)(N) C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H ](Cc3c[nH]c4ccccc34)NC=O; CC(C)(C(=O)N[C @H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](Cc3c[n H]c4c3cccc4)NC=O)N; CC(C)(C(=O)NC(Cc1c[n H]c2c1cccc2)C(=O)NC(Cc3c[nH]c4c3cccc4)NC =O)N |
Macimorelin; 2-azanyl-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide |
| 15753 | A1EQX | 2 | C43 H53 N3 O8 | InChI=1S/C43H53N3O8/c1-2- 3-4-5-17-50-19-20-51-18-1 6-44-42(47)28-6-13-35(43( 48)49)38(21-28)41-36-14-1 1-29(45-31-7-8-32(45)25-5 2-24-31)22-39(36)54-40-23 -30(12-15-37(40)41)46-33- 9-10-34(46)27-53-26-33/h6 ,11-14,21-23,31-34H,2-5,7 -10,15-20,24-27H2,1H3,(H, 44,47)(H,48,49)/t31-,32+, 33-,34+; ZBLXNLHFZGTVKZ-WKKVWOBLSA-N |
CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3CC=C(C =C3Oc4c2ccc(c4)N5C6CCC5COC6)N7C8CCC7COC8 )C(=O)O; CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2 =C3CC=C(C=C3Oc4c2ccc(c4)N5[C@@H]6CC[C@H] 5COC6)N7[C@@H]8CC[C@H]7COC8)C(=O)O; CCCC CCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2=C3CC= C(C=C3Oc4cc(ccc24)N5[C@@H]6CC[C@H]5COC6) N7[C@@H]8CC[C@H]7COC8; CCCCCCOCCOCCNC(=O )c1ccc(C(O)=O)c(c1)C2=C3CC=C(C=C3Oc4cc(c cc24)N5[CH]6CC[CH]5COC6)N7[CH]8CC[CH]7CO C8 |
2-[3,6-bis[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1H-xanthen-9-yl]-4-[2-(2-hexoxyethoxy)ethylcarbamoyl]benzoic acid |
| 15754 | A1ER2 | 1 | C22 H22 Cl N3 O6 | InChI=1S/C22H22ClN3O6/c1- 2-13-11-14(21(30)25-10-9- 24-18(27)7-8-19(28)29)12- 16(23)20(13)26-17-6-4-3-5 -15(17)22(31)32/h3-8,11-1 2,26H,2,9-10H2,1H3,(H,24, 27)(H,25,30)(H,28,29)(H,3 1,32)/b8-7+; WWXZWJCMHLKBNT-BQYQJAHWSA-N |
CCc1cc(cc(Cl)c1Nc2ccccc2C(O)=O)C(=O)NCCN C(=O)\C=C\C(O)=O; CCc1cc(cc(c1Nc2ccccc2C (=O)O)Cl)C(=O)NCCNC(=O)C=CC(=O)O; CCc1cc (cc(Cl)c1Nc2ccccc2C(O)=O)C(=O)NCCNC(=O)C =CC(O)=O; CCc1cc(cc(c1Nc2ccccc2C(=O)O)Cl )C(=O)NCCNC(=O)/C=C/C(=O)O |
2-[[2-chloranyl-6-ethyl-4-[2-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]ethylcarbamoyl]phenyl]amino]benzoic acid |
| 15755 | A1ER4 | 2 | C21 H24 N6 O2 | InChI=1S/C21H24N6O2/c1-12 -11-24-7-6-14(12)18-17(25 -20(22)26-18)13-4-5-16-15 (10-13)27(8-9-29-16)19(28 )21(2,3)23/h4-7,10-11H,8- 9,23H2,1-3H3,(H3,22,25,26 ); JPOVQSBUKRMDME-UHFFFAOYSA-N |
Cc1cnccc1c2c(nc([nH]2)N)c3ccc4c(c3)N(CCO 4)C(=O)C(C)(C)N; Cc1cnccc1c2[nH]c(N)nc2c 3ccc4OCCN(C(=O)C(C)(C)N)c4c3 |
2-azanyl-1-[6-[2-azanyl-5-(3-methylpyridin-4-yl)-1H-imidazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methyl-propan-1-one; SMT-738 |
| 15756 | A1ER5 | 0 | C13 H15 N O6 | InChI=1S/C13H15NO6/c14-9( 12(16)17)7-11(15)20-10(13 (18)19)6-8-4-2-1-3-5-8/h1 -5,9-10H,6-7,14H2,(H,16,1 7)(H,18,19)/t9-,10+/m0/s1; ZOCLFNQPTBJIJH-VHSXEESVSA-N |
c1ccc(cc1)CC(C(=O)O)OC(=O)CC(C(=O)O)N; N [CH](CC(=O)O[CH](Cc1ccccc1)C(O)=O)C(O)=O ; c1ccc(cc1)C[C@H](C(=O)O)OC(=O)C[C@@H]( C(=O)O)N; N[C@@H](CC(=O)O[C@H](Cc1ccccc1 )C(O)=O)C(O)=O |
(2~{S})-2-azanyl-4-oxidanylidene-4-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]oxy-butanoic acid |
| 15757 | A1ER6 | 1 | C68 H93 Co N21 O21 P2 | InChI=1S/C58H82N16O18P2.C 10H12N5O3.Co/c1-25(91-94( 87,88)92-93(85,86)89-23-3 3-45(82)46(83)52(90-33)74 -24-67-44-50(74)71-53(65) 72-51(44)84)22-66-41(81)1 6-17-55(6)31(18-38(62)78) 49-58(9)57(8,21-40(64)80) 30(12-15-37(61)77)43(73-5 8)27(3)48-56(7,20-39(63)7 9)28(10-13-35(59)75)32(68 -48)19-34-54(4,5)29(11-14 -36(60)76)42(69-34)26(2)4 7(55)70-49;1-4-6(16)7(17) 10(18-4)15-3-14-5-8(11)12 -2-13-9(5)15;/h10-11,13-1 4,19,24-25,28-31,33,45-46 ,49,52,82-83H,12,15-18,20 -23H2,1-9H3,(H19,59,60,61 ,62,63,64,65,66,68,69,70, 71,72,73,75,76,77,78,79,8 0,81,84,85,86,87,88);2-4, 6-7,10,16-17H,1H2,(H2,11, 12,13);/q;;+3/p-1/b13-10+ ,14-11+;;/t25-,28-,29-,30 -,31+,33-,45-,46-,49-,52- ,55-,56+,57+,58+;4-,6-,7- ,10-;/m11./s1; LPFRQNISNASIDF-GNORBUJHSA-M |
C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[ C@H]2[N@@]3C1=C(C)C4=NC(=CC5=[N@@+]6C(=C (C)C7=[N@@+]([C@]2(C)[C@@](C)(CC(N)=O)[C @@H]7CCC(N)=O)[Co]36C[C@H]8O[C@H]([C@H]( O)[C@@H]8O)n9cnc%10c(N)ncnc9%10)[C@@](C) (CC(N)=O)[C@@H]5/C=C/C(N)=O)C(C)(C)[C@@H ]4\C=C\C(N)=O)O[P](O)(=O)O[P](O)(=O)OC[C @H]%11O[C@H]([C@H](O)[C@@H]%11O)n%12cnc% 13C(=O)NC(=Nc%12%13)N; CC1=C2[C@@]([C@@H ](C3=[N+]2[Co]45(N6[C@H]([C@@H]([C@@](C6 =C(C7=[N]4C(=C3)C([C@@H]7/C=C/C(=O)N)(C) C)C)(C)CCC(=O)NC[C@@H](C)OP(=O)(O)OP(=O) (O)OC[C@@H]8[C@H]([C@H]([C@@H](O8)n9cnc2 c9N=C(NC2=O)N)O)O)CC(=O)N)[C@@]2([N+]5=C 1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C[C@@H ]1[C@H]([C@H]([C@@H](O1)n1cnc2c1ncnc2N)O )O)/C=C/C(=O)N)(C)CC(=O)N; C[CH](CNC(=O) CC[C]1(C)[CH](CC(N)=O)[CH]2[N]3C1=C(C)C4 =NC(=CC5=[N+]6C(=C(C)C7=[N+]([C]2(C)[C]( C)(CC(N)=O)[CH]7CCC(N)=O)[Co]36C[CH]8O[C H]([CH](O)[CH]8O)n9cnc%10c(N)ncnc9%10)[C ](C)(CC(N)=O)[CH]5C=CC(N)=O)C(C)(C)[CH]4 C=CC(N)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]%1 1O[CH]([CH](O)[CH]%11O)n%12cnc%13C(=O)NC (=Nc%12%13)N; CC1=C2C(C(C3=[N+]2[Co]45(N 6C(C(C(C6=C(C7=[N]4C(=C3)C(C7C=CC(=O)N)( C)C)C)(C)CCC(=O)NCC(C)OP(=O)(O)OP(=O)(O) OCC8C(C(C(O8)n9cnc2c9N=C(NC2=O)N)O)O)CC( =O)N)C2([N+]5=C1C(C2(C)CC(=O)N)CCC(=O)N) C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O)C=CC(=O )N)(C)CC(=O)N |
adenosylcobinamide-GDP |
| 15758 | A1ERR | 1 | C25 H26 F N7 O4 | InChI=1S/C25H26FN7O4/c1-1 4(34)29-12-15-10-21(20(35 )11-19(15)26)37-18-4-2-16 (3-5-18)32-22-23(27)30-13 -31-24(22)33(25(32)36)17- 6-8-28-9-7-17/h2-5,10-11, 13,17,28,35H,6-9,12H2,1H3 ,(H,29,34)(H2,27,30,31); VWOWWIFCUUNYCT-UHFFFAOYSA-N |
CC(=O)NCc1cc(c(cc1F)O)Oc2ccc(cc2)N3c4c(n cnc4N(C3=O)C5CCNCC5)N; CC(=O)NCc1cc(Oc2c cc(cc2)N3C(=O)N(C4CCNCC4)c5ncnc(N)c35)c( O)cc1F |
~{N}-[[5-[4-(6-azanyl-8-oxidanylidene-9-piperidin-4-yl-purin-7-yl)phenoxy]-2-fluoranyl-4-oxidanyl-phenyl]methyl]ethanamide |
| 15759 | A1ERS | 1 | C25 H27 N7 O3 | InChI=1S/C25H27N7O3/c1-16 (33)28-14-17-3-2-4-21(13- 17)35-20-7-5-18(6-8-20)31 -22-23(26)29-15-30-24(22) 32(25(31)34)19-9-11-27-12 -10-19/h2-8,13,15,19,27H, 9-12,14H2,1H3,(H,28,33)(H 2,26,29,30); RAUAFLDCBPAPHJ-UHFFFAOYSA-N |
CC(=O)NCc1cccc(c1)Oc2ccc(cc2)N3c4c(ncnc4 N(C3=O)C5CCNCC5)N; CC(=O)NCc1cccc(Oc2ccc (cc2)N3C(=O)N(C4CCNCC4)c5ncnc(N)c35)c1 |
~{N}-[[3-[4-(6-azanyl-8-oxidanylidene-9-piperidin-4-yl-purin-7-yl)phenoxy]phenyl]methyl]ethanamide |
| 15760 | A1ERZ CHEMBL5179293 |
1 | C9 H10 N2 O | InChI=1S/C9H10N2O/c1-6(12 )9-10-7-4-2-3-5-8(7)11-9/ h2-6,12H,1H3,(H,10,11)/t6 -/m0/s1; XZHWEHOSQYNGOL-LURJTMIESA-N |
C[C@@H](c1[nH]c2ccccc2n1)O; C[C@H](O)c1[ nH]c2ccccc2n1; C[CH](O)c1[nH]c2ccccc2n1; CC(c1[nH]c2ccccc2n1)O |
(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol |
| 15761 | A1ES2 | 1 | C23 H31 N3 O4 | InChI=1S/C23H31N3O4/c27-1 7(16-30-20-6-3-5-19-18(20 )7-11-25-19)15-24-10-4-12 -26-21(28)13-23(14-22(26) 29)8-1-2-9-23/h3,5-7,11,1 7,24-25,27H,1-2,4,8-10,12 -16H2/t17-/m0/s1; KVCDXJUCIQSGFP-KRWDZBQOSA-N |
c1cc2c(cc[nH]2)c(c1)OC[C@H](CNCCCN3C(=O) CC4(CCCC4)CC3=O)O; O[CH](CNCCCN1C(=O)CC2 (CCCC2)CC1=O)COc3cccc4[nH]ccc34; O[C@@H] (CNCCCN1C(=O)CC2(CCCC2)CC1=O)COc3cccc4[n H]ccc34; c1cc2c(cc[nH]2)c(c1)OCC(CNCCCN3 C(=O)CC4(CCCC4)CC3=O)O |
8-[3-[[(2~{S})-3-(1~{H}-indol-4-yloxy)-2-oxidanyl-propyl]amino]propyl]-8-azaspiro[4.5]decane-7,9-dione |
| 15762 | A1ES3 | 6 | C10 H9 F3 O2 | InChI=1S/C10H9F3O2/c11-10 (12,13)8-4-1-7(2-5-8)3-6- 9(14)15/h1-2,4-5H,3,6H2,( H,14,15); OEIUMLSCWINLBB-UHFFFAOYSA-N |
OC(=O)CCc1ccc(cc1)C(F)(F)F; c1cc(ccc1CCC (=O)O)C(F)(F)F |
3-[4-(trifluoromethyl)phenyl]propanoic acid |
| 15763 | A1ES4 CHEMBL117405 |
1 | C14 H20 N2 O2 | InChI=1S/C14H20N2O2/c1-10 (2)16-8-11(17)9-18-14-5-3 -4-13-12(14)6-7-15-13/h3- 7,10-11,15-17H,8-9H2,1-2H 3/t11-/m0/s1; JZQKKSLKJUAGIC-NSHDSACASA-N |
CC(C)NC[C@@H](COc1cccc2c1cc[nH]2)O; CC(C )NC[C@H](O)COc1cccc2[nH]ccc12; CC(C)NC[C H](O)COc1cccc2[nH]ccc12; CC(C)NCC(COc1cc cc2c1cc[nH]2)O |
(2~{S})-1-(1~{H}-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol |
| 15764 | A1ESA CHEMBL284092 DB12184 |
1 | C19 H29 N5 O2 | InChI=1S/C19H29N5O2/c1-19 (2)14-16(25)24(17(26)15-1 9)9-4-3-8-22-10-12-23(13- 11-22)18-20-6-5-7-21-18/h 5-7H,3-4,8-15H2,1-2H3; QOIGKGMMAGJZNZ-UHFFFAOYSA-N |
CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)c3nccc n3)C; CC1(C)CC(=O)N(CCCCN2CCN(CC2)c3nccc n3)C(=O)C1 |
Gepirone |
| 15765 | A1ESC CHEMBL230963 DB16936 |
1 | C19 H21 Cl F2 N4 O | InChI=1S/C19H21ClF2N4O/c1 -13-9-24-17(25-10-13)11-2 3-12-19(22)4-6-26(7-5-19) 18(27)14-2-3-16(21)15(20) 8-14/h2-3,8-10,23H,4-7,11 -12H2,1H3; WAAXKNFGOFTGLP-UHFFFAOYSA-N |
Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c3ccc(F)c(Cl )c3)nc1; Cc1cnc(nc1)CNCC2(CCN(CC2)C(=O)c 3ccc(c(c3)Cl)F)F |
(3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone |
| 15766 | A1ESD | 1 | C31 H42 N6 O3 | InChI=1S/C31H42N6O3/c1-30 (2,32)28(39)34-26(18-23-2 0-33-25-15-10-9-14-24(23) 25)27(38)37-17-11-16-31(2 1-37,29(40)36(5)35(3)4)19 -22-12-7-6-8-13-22/h6-10, 12-15,20,26,33H,11,16-19, 21,32H2,1-5H3,(H,34,39)/t 26-,31+/m1/s1; VQPFSIRUEPQQPP-NEEKEDPPSA-N |
CN(C)N(C)C(=O)[C@@]1(CCCN(C1)C(=O)[C@@H] (Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4ccc cc4; CC(C)(C(=O)N[C@H](Cc1c[nH]c2c1cccc2 )C(=O)N3CCC[C@@](C3)(Cc4ccccc4)C(=O)N(C) N(C)C)N; CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O )[CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C c4ccccc4; CC(C)(C(=O)NC(Cc1c[nH]c2c1cccc 2)C(=O)N3CCCC(C3)(Cc4ccccc4)C(=O)N(C)N(C )C)N |
2-azanyl-N-[(2R)-1-[(3S)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide |
| 15767 | A1ESE CHEMBL26998 |
1 | C16 H25 N O | InChI=1S/C16H25NO/c1-3-10 -17(11-4-2)14-9-8-13-6-5- 7-16(18)15(13)12-14/h5-7, 14,18H,3-4,8-12H2,1-2H3/t 14-/m1/s1; ASXGJMSKWNBENU-CQSZACIVSA-N |
CCCN(CCC)[C@@H]1CCc2cccc(c2C1)O; CCCN(CC C)C1CCc2cccc(c2C1)O; CCCN(CCC)[CH]1CCc2c ccc(O)c2C1; CCCN(CCC)[C@@H]1CCc2cccc(O)c 2C1 |
(7~{R})-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol |
| 15768 | A1ESQ CHEMBL5314958 DB19300 |
1 | C12 H19 N O2 | InChI=1S/C12H19NO2/c13-6- 12(5-11(14)15)9-2-1-7-3-8 (9)10(12)4-7/h7-10H,1-6,1 3H2,(H,14,15)/t7-,8-,9+,1 0-,12-/m0/s1; WCEFMBSFXJUREW-LIJGXYGRSA-N |
NC[C]1(CC(O)=O)[CH]2CC[CH]3C[CH]2[CH]1C3 ; C1C[C@@H]2[C@@H]3C[C@H]1C[C@@H]3[C@@]2 (CC(=O)O)CN; C1CC2C3CC1CC3C2(CC(=O)O)CN; NC[C@@]1(CC(O)=O)[C@@H]2CC[C@H]3C[C@@H] 2[C@@H]1C3 |
Crisugabalin |
| 15769 | A1ESY | 1 | C25 H28 F4 N3 O6 P | InChI=1S/C25H28F4N3O6P/c2 6-21-11-16(6-7-18(21)12-2 4(30,13-33)14-37-39(34,35 )36)22-31-23(38-32-22)17- 8-9-19(15-4-2-1-3-5-15)20 (10-17)25(27,28)29/h6-11, 15,33H,1-5,12-14,30H2,(H2 ,34,35,36)/t24-/m0/s1; FETMQOSQLANUBC-DEOSSOPVSA-N |
N[C@@](CO)(CO[P](O)(O)=O)Cc1ccc(cc1F)c2n oc(n2)c3ccc(C4CCCCC4)c(c3)C(F)(F)F; c1cc (c(cc1c2nc(on2)c3ccc(c(c3)C(F)(F)F)C4CCC CC4)F)CC(CO)(COP(=O)(O)O)N; c1cc(c(cc1c2 nc(on2)c3ccc(c(c3)C(F)(F)F)C4CCCCC4)F)C[ C@](CO)(COP(=O)(O)O)N; N[C](CO)(CO[P](O) (O)=O)Cc1ccc(cc1F)c2noc(n2)c3ccc(C4CCCCC 4)c(c3)C(F)(F)F |
[(2~{S})-2-azanyl-2-[[4-[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-phenyl]methyl]-3-oxidanyl-propyl] dihydrogen phosphate |
| 15770 | A1ESZ | 1 | C23 H25 Cl N2 O4 S | InChI=1S/C23H25ClN2O4S/c1 -3-10-25-23-26(19-7-5-4-6 -15(19)2)22(29)21(31-23)1 2-16-8-9-20(18(24)11-16)3 0-14-17(28)13-27/h4-9,11- 12,17,27-28H,3,10,13-14H2 ,1-2H3/b21-12-,25-23-/t17 -/m1/s1; LPAUOXUZGSBGDU-STDDISTJSA-N |
CCCN=C1S\C(=C/c2ccc(OC[C@H](O)CO)c(Cl)c2 )C(=O)N1c3ccccc3C; CCC/N=C\1/N(C(=O)/C(= C/c2ccc(c(c2)Cl)OC[C@@H](CO)O)/S1)c3cccc c3C; CCCN=C1SC(=Cc2ccc(OC[CH](O)CO)c(Cl) c2)C(=O)N1c3ccccc3C; CCCN=C1N(C(=O)C(=Cc 2ccc(c(c2)Cl)OCC(CO)O)S1)c3ccccc3C |
(2~{Z},5~{Z})-5-[[4-[(2~{R})-2,3-bis(oxidanyl)propoxy]-3-chloranyl-phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one; Ponesimod |
| 15771 | A1ET8 | 2 | C18 H24 O6 | InChI=1S/C18H24O6/c1-11-3 -2-4-13(19)7-8-14(20)6-5- 12-9-15(21)10-16(22)17(12 )18(23)24-11/h5-6,9-11,13 -14,19-22H,2-4,7-8H2,1H3/ b6-5+/t11-,13-,14+/m0/s1; NCXPTKPSQNXPKF-ILBBBIAVSA-N |
C[C@H]1CCC[C@@H](CC[C@@H](/C=C/c2cc(cc(c 2C(=O)O1)O)O)O)O; C[C@H]1CCC[C@H](O)CC[C @H](O)\C=C\c2cc(O)cc(O)c2C(=O)O1; C[CH]1 CCC[CH](O)CC[CH](O)C=Cc2cc(O)cc(O)c2C(=O )O1; CC1CCCC(CCC(C=Cc2cc(cc(c2C(=O)O1)O) O)O)O |
(4S,8S,11S,12E)-4-methyl-8,11,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one |
| 15772 | A1ET9 | 2 | C18 H22 O6 | InChI=1S/C18H22O6/c1-11-7 -14(20)9-13(19)6-4-2-3-5- 12-8-15(21)10-16(22)17(12 )18(23)24-11/h3,5,8,10-11 ,14,20-22H,2,4,6-7,9H2,1H 3/b5-3+/t11-,14+/m0/s1; GJFPDPNMJOCHCT-IVDNPREJSA-N |
CC1CC(CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O) O; C[CH]1C[CH](O)CC(=O)CCCC=Cc2cc(O)cc(O )c2C(=O)O1; C[C@H]1C[C@@H](O)CC(=O)CCC\C =C\c2cc(O)cc(O)c2C(=O)O1; C[C@H]1C[C@H]( CC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O |
(4S,6R,12E)-4-methyl-6,16,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione |
| 15773 | A1ETB | 2 | C26 H26 F N7 O | InChI=1S/C26H26FN7O/c1-16 -19-4-2-3-5-20(19)30-25(2 9-16)33-12-17(13-33)22-23 (34-14-18(27)6-7-21(34)31 -22)24(35)32-11-10-28-26( 15-32)8-9-26/h2-7,14,17,2 8H,8-13,15H2,1H3; HVMCCFZKHPZGHQ-UHFFFAOYSA-N |
Cc1nc(nc2ccccc12)N3CC(C3)c4nc5ccc(F)cn5c 4C(=O)N6CCNC7(CC7)C6; Cc1c2ccccc2nc(n1)N 3CC(C3)c4c(n5cc(ccc5n4)F)C(=O)N6CCNC7(C6 )CC7 |
4,7-diazaspiro[2.5]octan-7-yl-[6-fluoranyl-2-[1-(4-methylquinazolin-2-yl)azetidin-3-yl]imidazo[1,2-a]pyridin-3-yl]methanone |
| 15774 | A1ETD | 0 | C22 H28 Cl2 N4 O2 | InChI=1S/C22H28Cl2N4O2/c1 -2-3-10-22(15-7-4-5-8-15) 13-14-12-16(19(23)20(24)1 8(14)21(22)29)30-11-6-9-1 7-25-27-28-26-17/h12,15H, 2-11,13H2,1H3,(H,25,26,27 ,28)/t22-/m0/s1; ZGKIUQSJMFBDGB-QFIPXVFZSA-N |
CCCC[C]1(Cc2cc(OCCCc3[nH]nnn3)c(Cl)c(Cl) c2C1=O)C4CCCC4; CCCC[C@]1(Cc2cc(c(c(c2C1 =O)Cl)Cl)OCCCc3[nH]nnn3)C4CCCC4; CCCC[C@ ]1(Cc2cc(OCCCc3[nH]nnn3)c(Cl)c(Cl)c2C1=O )C4CCCC4; CCCCC1(Cc2cc(c(c(c2C1=O)Cl)Cl) OCCCc3[nH]nnn3)C4CCCC4 |
(2S)-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one |
| 15775 | A1ETE | 3 | C23 H30 F2 N4 O2 | InChI=1S/C23H30F2N4O2/c1- 2-3-11-23(16-8-5-4-6-9-16 )14-15-13-17(20(24)21(25) 19(15)22(23)30)31-12-7-10 -18-26-28-29-27-18/h13,16 H,2-12,14H2,1H3,(H,26,27, 28,29)/t23-/m0/s1; DZJNIVKWDLDGEH-QHCPKHFHSA-N |
CCCCC1(Cc2cc(c(c(c2C1=O)F)F)OCCCc3[nH]nn n3)C4CCCCC4; CCCC[C@]1(Cc2cc(c(c(c2C1=O) F)F)OCCCc3[nH]nnn3)C4CCCCC4; CCCC[C@]1(C c2cc(OCCCc3[nH]nnn3)c(F)c(F)c2C1=O)C4CCC CC4; CCCC[C]1(Cc2cc(OCCCc3[nH]nnn3)c(F)c (F)c2C1=O)C4CCCCC4 |
(2S)-2-butyl-2-cyclohexyl-6,7-bis(fluoranyl)-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one |
| 15776 | A1ETK | 2 | C15 H15 F N4 O4 S | InChI=1S/C15H15FN4O4S/c16 -11-5-9(10-7-17-19-4-2-1- 3-12(10)19)6-13(21)15(11) 20-8-14(22)18-25(20,23)24 /h5-7,21H,1-4,8H2,(H,18,2 2); SQZMXWLMZXXUEK-UHFFFAOYSA-N |
c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3cnn4c 3CCCC4; Oc1cc(cc(F)c1N2CC(=O)N[S]2(=O)=O )c3cnn4CCCCc34 |
5-[2-fluoranyl-6-oxidanyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one |
| 15777 | A1ETL | 2 | C16 H22 F N3 O4 S | InChI=1S/C16H22FN3O4S/c1- 10(2)3-4-19-7-12(8-19)11- 5-13(17)16(14(21)6-11)20- 9-15(22)18-25(20,23)24/h5 -6,10,12,21H,3-4,7-9H2,1- 2H3,(H,18,22); DCGHMVNIHXCUSH-UHFFFAOYSA-N |
CC(C)CCN1CC(C1)c2cc(c(c(c2)F)N3CC(=O)NS3 (=O)=O)O; CC(C)CCN1CC(C1)c2cc(O)c(N3CC(= O)N[S]3(=O)=O)c(F)c2 |
5-[2-fluoranyl-4-[1-(3-methylbutyl)azetidin-3-yl]-6-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one |
| 15778 | A1ETT | 0 | C13 H18 N2 S2 | InChI=1S/C13H18N2S2/c1-14 (2)12-7-5-10(16-12)9-11-6 -8-13(17-11)15(3)4/h5-8H, 9H2,1-4H3; REVNSEQJHIJNGX-UHFFFAOYSA-N |
CN(C)c1ccc(s1)Cc2ccc(s2)N(C)C; CN(C)c1sc (Cc2sc(cc2)N(C)C)cc1 |
5-[[5-(dimethylamino)thiophen-2-yl]methyl]-N,N-dimethyl-thiophen-2-amine |
| 15779 | A1ETX | 2 | C20 H18 F3 N5 O | InChI=1S/C20H18F3N5O/c1-2 8(10-9-24)18(29)12-17(13- 5-4-6-14(11-13)20(21,22)2 3)27-19-25-15-7-2-3-8-16( 15)26-19/h2-8,11,17H,10,1 2H2,1H3,(H2,25,26,27)/t17 -/m0/s1; KPVQYQOKIIKXMI-KRWDZBQOSA-N |
CN(CC#N)C(=O)CC(c1cccc(c1)C(F)(F)F)Nc2[n H]c3ccccc3n2; CN(CC#N)C(=O)C[CH](Nc1[nH] c2ccccc2n1)c3cccc(c3)C(F)(F)F; CN(CC#N)C (=O)C[C@H](Nc1[nH]c2ccccc2n1)c3cccc(c3)C (F)(F)F; CN(CC#N)C(=O)C[C@@H](c1cccc(c1) C(F)(F)F)Nc2[nH]c3ccccc3n2 |
(3~{S})-3-(1~{H}-benzimidazol-2-ylamino)-~{N}-(cyanomethyl)-~{N}-methyl-3-[3-(trifluoromethyl)phenyl]propanamide |
| 15780 | A1EUP CHEMBL236247 |
1 | C32 H30 Cl N3 O7 | InChI=1S/C32H30ClN3O7/c33 -22-10-8-19(9-11-22)23-13 -21(23)17-42-32(31(40)41) 15-26(37)29(39)27(16-32)4 3-28(38)14-25(20-5-2-1-3- 6-20)36-18-35-30-24(36)7- 4-12-34-30/h1-12,14,18,21 ,23,26-27,29,37,39H,13,15 -17H2,(H,40,41)/b25-14-/t 21-,23+,26+,27+,29+,32-/m 0/s1; MYXPHMOLFCUDIL-MLFVSVOESA-N |
O[C@@H]1C[C@@](C[C@@H](OC(=O)/C=C(n2cnc3 ncccc23)/c4ccccc4)[C@@H]1O)(OC[C@@H]5C[C @@H]5c6ccc(Cl)cc6)C(O)=O; c1ccc(cc1)/C(= C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)( C(=O)O)OC[C@@H]3C[C@@H]3c4ccc(cc4)Cl)/n5 cnc6c5cccn6; O[CH]1C[C](C[CH](OC(=O)C=C( n2cnc3ncccc23)c4ccccc4)[CH]1O)(OC[CH]5C[ CH]5c6ccc(Cl)cc6)C(O)=O; c1ccc(cc1)C(=CC (=O)OC2CC(CC(C2O)O)(C(=O)O)OCC3CC3c4ccc( cc4)Cl)n5cnc6c5cccn6 |
(1~{S},3~{R},4~{R},5~{R})-1-[[(1~{R},2~{S})-2-(4-chlorophenyl)cyclopropyl]methoxy]-3-[(~{Z})-3-imidazo[4,5-b]pyridin-1-yl-3-phenyl-prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid |
| 15781 | A1EV1 CHEMBL4468815 DB15145 |
2 | C22 H25 N5 O3 S | InChI=1S/C22H25N5O3S/c1-1 5-6-7-18-17(10-15)20(24-1 2-22(23)13-30-14-22)26-21 (25-18)27-8-9-31(28,29)19 -5-3-2-4-16(19)11-27/h2-7 ,10H,8-9,11-14,23H2,1H3,( H,24,25,26); GAAICKUTDBZCMT-UHFFFAOYSA-N |
Cc1ccc2c(c1)c(nc(n2)N3CCS(=O)(=O)c4ccccc 4C3)NCC5(COC5)N; Cc1ccc2nc(nc(NCC3(N)COC 3)c2c1)N4CC[S](=O)(=O)c5ccccc5C4 |
~{N}-[(3-azanyloxetan-3-yl)methyl]-2-[1,1-bis(oxidanylidene)-3,5-dihydro-2~{H}-1$l^{6},4-benzothiazepin-4-yl]-6-methyl-quinazolin-4-amine; Ziresovir |
| 15782 | A1EVL | 1 | C11 H16 O2 | InChI=1S/C11H16O2/c12-8-2 -4-5-3-9(13)11-7(5)1-6(4) 10(8)11/h4-13H,1-3H2/t4-, 5+,6+,7-,8-,9+,10+,11-; SGJHAJIYHXLQSR-JJSSPVMXSA-N |
O[C@H]1C[C@H]2[C@H]3C[C@@H](O)[C@@H]4[C@ H]3C[C@H]2[C@H]14; O[CH]1C[CH]2[CH]3C[CH ](O)[CH]4[CH]3C[CH]2[CH]14; C1[C@@H]2[C@ H]3C[C@@H]([C@@H]2[C@H]4[C@@H]1[C@@H]3C[ C@H]4O)O; C1C2C3CC(C2C4C1C3CC4O)O |
(3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol |
| 15783 | A1EVP CHEMBL4063587 |
2 | C28 H34 F N3 O5 | InChI=1S/C28H34FN3O5/c1-3 -35-23-13-19(14-24(36-4-2 )26(23)20-5-7-22(29)8-6-2 0)16-31-17-28(18-31)15-25 (30-37-28)32-11-9-21(10-1 2-32)27(33)34/h5-8,13-14, 21H,3-4,9-12,15-18H2,1-2H 3,(H,33,34); UQRAIIGEZLINAT-UHFFFAOYSA-N |
CCOc1cc(CN2CC3(C2)CC(=NO3)N4CCC(CC4)C(O) =O)cc(OCC)c1c5ccc(F)cc5; CCOc1cc(cc(c1c2 ccc(cc2)F)OCC)CN3CC4(C3)CC(=NO4)N5CCC(CC 5)C(=O)O |
1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid; SSTR5 antagonist 1 |
| 15784 | A1EVQ | 2 | C27 H33 N3 O4 | InChI=1S/C27H33N3O4/c1-3- 34-24-15-21(23(14-18(24)2 )19-4-5-19)16-29-12-10-27 (11-13-29)17-30(26(33)28- 27)22-8-6-20(7-9-22)25(31 )32/h6-9,14-15,19H,3-5,10 -13,16-17H2,1-2H3,(H,28,3 3)(H,31,32); WERPJWHERZIQSB-UHFFFAOYSA-N |
CCOc1cc(CN2CCC3(CC2)CN(C(=O)N3)c4ccc(cc4 )C(O)=O)c(cc1C)C5CC5; CCOc1cc(c(cc1C)C2C C2)CN3CCC4(CC3)CN(C(=O)N4)c5ccc(cc5)C(=O )O |
4-[8-[(2-cyclopropyl-5-ethoxy-4-methyl-phenyl)methyl]-2-oxidanylidene-1,3,8-triazaspiro[4.5]decan-3-yl]benzoic acid |
| 15785 | A1EVZ | 6 | C11 H19 N O3 | InChI=1S/C11H19NO3/c1-8-5 -6-9(13)7-12(8)10(14)15-1 1(2,3)4/h8H,5-7H2,1-4H3/t 8-/m0/s1; CSTUUOYWLVVNLE-QMMMGPOBSA-N |
C[CH]1CCC(=O)CN1C(=O)OC(C)(C)C; CC1CCC(= O)CN1C(=O)OC(C)(C)C; C[C@H]1CCC(=O)CN1C( =O)OC(C)(C)C |
~{tert}-butyl (2~{S})-2-methyl-5-oxidanylidene-piperidine-1-carboxylate |
| 15786 | A1EW5 CHEMBL590047 |
3 | C39 H72 O5 | InChI=1S/C39H72O5/c1-3-5- 7-9-11-13-15-17-19-21-23- 25-27-29-31-33-38(41)43-3 6-37(35-40)44-39(42)34-32 -30-28-26-24-22-20-18-16- 14-12-10-8-6-4-2/h17-20,3 7,40H,3-16,21-36H2,1-2H3/ b19-17-,20-18-/t37-/m0/s1; AFSHUZFNMVJNKX-LLWMBOQKSA-N |
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCC CCCC=CCCCCCCCC; CCCCCCCCC=CCCCCCCCC(=O)O C[CH](CO)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCC CCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC CCCC\C=C/CCCCCCCC; CCCCCCCC/C=C\CCCCCCCC (=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCC C |
[(2~{S})-2-[(~{Z})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (~{Z})-octadec-9-enoate; 1,2-Dioleoyl-sn-glycerol |
| 15787 | A1EWE | 2 | C34 H37 N O7 S | InChI=1S/C34H37NO7S/c1-31 (2,3)16-6-9-22-19(12-16)2 4-27(43-22)29(39)32(4,28- 21-13-17-14-34(24,28)15-3 3(17,5)42-21)11-10-23(37) 35-25-20(36)8-7-18(26(25) 38)30(40)41/h6-9,12,17,21 ,28,36,38H,10-11,13-15H2, 1-5H3,(H,35,37)(H,40,41)/ t17-,21+,28+,32+,33+,34+/ m1/s1; LQHDITOCVYIARI-QXAKLDAESA-N |
CC(C)(C)c1ccc2sc3C(=O)[C](C)(CCC(=O)Nc4c (O)ccc(C(O)=O)c4O)[CH]5[CH]6C[CH]7C[C]5( C[C]7(C)O6)c3c2c1; CC(C)(C)c1ccc2sc3C(=O )[C@@](C)(CCC(=O)Nc4c(O)ccc(C(O)=O)c4O)[ C@@H]5[C@@H]6C[C@@H]7C[C@]5(C[C@]7(C)O6) c3c2c1; CC12CC34CC1CC(C3C(C(=O)c5c4c6cc( ccc6s5)C(C)(C)C)(C)CCC(=O)Nc7c(ccc(c7O)C (=O)O)O)O2; C[C@]12C[C@]34C[C@H]1C[C@@H] ([C@H]3[C@](C(=O)c5c4c6cc(ccc6s5)C(C)(C) C)(C)CCC(=O)Nc7c(ccc(c7O)C(=O)O)O)O2 |
3-(3-((2S,3S,5S,5aR,6S,12cR)-11-(tert-butyl)-2,6-dimethyl-7-oxo-1,2,3,4,5,5a,6,7-octahydro-2,5-epoxy-3,12c-methanobenzo[b]cyclohepta[5,6]benzo[1,2-d]thiophen-6-yl)propanamido)-2,4-dihydroxybenzoic acid |
| 15788 | A1EWS CHEMBL4070488 |
1 | C27 H24 Br Cl F N3 O | InChI=1S/C27H24BrClFN3O/c 28-25-10-5-20(17-31-25)26 (34)33-18-27(23-16-22(30) 8-9-24(23)33)11-14-32(15- 12-27)13-1-2-19-3-6-21(29 )7-4-19/h1-10,16-17H,11-1 5,18H2/b2-1+; RDXPBCTWNYFBFI-OWOJBTEDSA-N |
c1cc(ccc1C=CCN2CCC3(CC2)CN(c4c3cc(cc4)F) C(=O)c5ccc(nc5)Br)Cl; Fc1ccc2N(CC3(CCN(C C3)CC=Cc4ccc(Cl)cc4)c2c1)C(=O)c5ccc(Br)n c5; Fc1ccc2N(CC3(CCN(CC3)C/C=C/c4ccc(Cl) cc4)c2c1)C(=O)c5ccc(Br)nc5; c1cc(ccc1/C= C/CN2CCC3(CC2)CN(c4c3cc(cc4)F)C(=O)c5ccc (nc5)Br)Cl |
(6-bromanylpyridin-3-yl)-[1'-[(~{E})-3-(4-chlorophenyl)prop-2-enyl]-5-fluoranyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methanone |
| 15789 | A1EWW | 1 | C15 H13 F3 N4 O2 S | InChI=1S/C15H13F3N4O2S/c1 -3-25(23,24)11-5-4-6-19-1 2(11)14-21-10-7-9(15(16,1 7)18)8-20-13(10)22(14)2/h 4-8H,3H2,1-2H3; AVOKNZWKPLQRGP-UHFFFAOYSA-N |
CC[S](=O)(=O)c1cccnc1c2nc3cc(cnc3n2C)C(F )(F)F; CCS(=O)(=O)c1cccnc1c2nc3cc(cnc3n2 C)C(F)(F)F |
2-(3-ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine |
| 15790 | A1EY1 | 3 | C11 H13 N2 O9 P S | InChI=1S/C11H13N2O9PS/c14 -6-5(3-21-23(18,19)20)22- 9(7(6)15)13-10-4(1-2-24-1 0)8(16)12-11(13)17/h1-2,5 -7,9,14-15H,3H2,(H,12,16, 17)(H2,18,19,20)/t5-,6-,7 -,9-/m1/s1; WTJWLDXEEZVLGX-JXOAFFINSA-N |
c1csc2c1C(=O)NC(=O)N2C3C(C(C(O3)COP(=O)( O)O)O)O; c1csc2c1C(=O)NC(=O)N2[C@H]3[C@@ H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O; O[CH ]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O )NC(=O)c3ccsc23; O[C@H]1[C@@H](O)[C@@H]( O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)c3ccs c23 |
[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 15791 | A1EY2 | 1 | C17 H15 N S | InChI=1S/C17H15NS/c18-17( 16-7-4-12-19-16)15-10-8-1 4(9-11-15)13-5-2-1-3-6-13 /h1-12,17H,18H2/t17-/m1/s 1; CQWKOKBTUCNXOR-QGZVFWFLSA-N |
c1ccc(cc1)c2ccc(cc2)[C@H](c3cccs3)N; N[C H](c1sccc1)c2ccc(cc2)c3ccccc3; c1ccc(cc1 )c2ccc(cc2)C(c3cccs3)N; N[C@@H](c1sccc1) c2ccc(cc2)c3ccccc3 |
(~{R})-(4-phenylphenyl)-thiophen-2-yl-methanamine |
| 15792 | A1EY3 | 1 | C16 H13 F N2 S | InChI=1S/C16H13FN2S/c17-1 4-4-2-1-3-13(14)11-5-7-12 (8-6-11)15(18)16-19-9-10- 20-16/h1-10,15H,18H2/t15- /m1/s1; AJZPKLAJMBTWQD-OAHLLOKOSA-N |
c1ccc(c(c1)c2ccc(cc2)C(c3nccs3)N)F; c1cc c(c(c1)c2ccc(cc2)[C@H](c3nccs3)N)F; N[CH ](c1ccc(cc1)c2ccccc2F)c3sccn3; N[C@H](c1 ccc(cc1)c2ccccc2F)c3sccn3 |
(~{R})-[4-(2-fluorophenyl)phenyl]-(1,3-thiazol-2-yl)methanamine |
| 15793 | A1EY4 | 1 | C23 H24 N2 O S | InChI=1S/C23H24N2OS/c26-2 3(20-8-4-14-24-16-20)25-2 2(21-9-5-15-27-21)19-12-1 0-18(11-13-19)17-6-2-1-3- 7-17/h1-3,5-7,9-13,15,20, 22,24H,4,8,14,16H2,(H,25, 26)/t20-,22+/m0/s1; ZEHKTRSFTWNPFP-RBBKRZOGSA-N |
c1ccc(cc1)c2ccc(cc2)C(c3cccs3)NC(=O)C4CC CNC4; c1ccc(cc1)c2ccc(cc2)[C@H](c3cccs3) NC(=O)[C@H]4CCCNC4; O=C(N[CH](c1sccc1)c2 ccc(cc2)c3ccccc3)[CH]4CCCNC4; O=C(N[C@@H ](c1sccc1)c2ccc(cc2)c3ccccc3)[C@H]4CCCNC 4 |
(3~{S})-~{N}-[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxamide |
| 15794 | A1EY5 | 1 | C24 H25 N3 O2 S | InChI=1S/C24H25N3O2S/c28- 22(16-26-24(29)20-12-13-2 5-15-20)27-23(21-7-4-14-3 0-21)19-10-8-18(9-11-19)1 7-5-2-1-3-6-17/h1-11,14,2 0,23,25H,12-13,15-16H2,(H ,26,29)(H,27,28)/t20-,23- /m1/s1; GCXGKCMCRJHICH-NFBKMPQASA-N |
O=C(CNC(=O)[CH]1CCNC1)N[CH](c2sccc2)c3cc c(cc3)c4ccccc4; c1ccc(cc1)c2ccc(cc2)C(c3 cccs3)NC(=O)CNC(=O)C4CCNC4; c1ccc(cc1)c2 ccc(cc2)[C@H](c3cccs3)NC(=O)CNC(=O)[C@@H ]4CCNC4; O=C(CNC(=O)[C@@H]1CCNC1)N[C@@H] (c2sccc2)c3ccc(cc3)c4ccccc4 |
(3~{R})-~{N}-[2-oxidanylidene-2-[[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]amino]ethyl]pyrrolidine-3-carboxamide |
| 15795 | A1EY6 | 1 | C24 H24 F N3 O2 S | InChI=1S/C24H24FN3O2S/c25 -20-5-2-1-4-19(20)16-7-9- 17(10-8-16)23(21-6-3-13-3 1-21)28-22(29)15-27-24(30 )18-11-12-26-14-18/h1-10, 13,18,23,26H,11-12,14-15H 2,(H,27,30)(H,28,29)/t18- ,23-/m1/s1; ZBHGBRUXINJSFI-WZONZLPQSA-N |
Fc1ccccc1c2ccc(cc2)[CH](NC(=O)CNC(=O)[CH ]3CCNC3)c4sccc4; c1ccc(c(c1)c2ccc(cc2)[C @H](c3cccs3)NC(=O)CNC(=O)[C@@H]4CCNC4)F; c1ccc(c(c1)c2ccc(cc2)C(c3cccs3)NC(=O)CN C(=O)C4CCNC4)F; Fc1ccccc1c2ccc(cc2)[C@@H ](NC(=O)CNC(=O)[C@@H]3CCNC3)c4sccc4 |
(3~{R})-~{N}-[2-[[(~{R})-[4-(2-fluorophenyl)phenyl]-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxamide |
| 15796 | A1EYK | 17 | C40 H58 O | InChI=1S/C40H58O/c1-33(2) 19-13-22-36(5)25-16-28-37 (6)26-14-23-34(3)20-11-12 -21-35(4)24-15-27-38(7)29 -17-30-39(8)31-18-32-40(9 ,10)41/h11-12,14-15,17-21 ,23-27,29-31,41H,13,16,22 ,28,32H2,1-10H3/b12-11+,2 3-14+,24-15+,29-17+,31-18 +,34-20+,35-21+,36-25+,37 -26+,38-27+,39-30+; IKOGZSUEGBDVQU-XZXJNJSQSA-N |
CC(C)=CCCC(/C)=C/CCC(/C)=C/C=C/C(C)=C/C= C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C) (C)O; CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/ C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C )(C)O)/C)/C)/C)C; CC(=CCCC(=CCCC(=CC=CC( =CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C) O)C)C)C)C; CC(C)=CCCC(C)=CCCC(C)=CC=CC(C )=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C )O |
(4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-2-ol; Demethylspheroidene |
| 15797 | A1EYL | 2 | C22 H26 O6 | InChI=1S/C22H26O6/c1-23-1 7-7-5-13(9-19(17)25-3)21- 15-11-28-22(16(15)12-27-2 1)14-6-8-18(24-2)20(10-14 )26-4/h5-10,15-16,21-22H, 11-12H2,1-4H3/t15-,16-,21 +,22+/m0/s1; PEUUVVGQIVMSAW-RZTYQLBFSA-N |
COc1ccc(cc1OC)[C@@H]2[C@H]3CO[C@@H]([C@H ]3CO2)c4ccc(c(c4)OC)OC; COc1ccc(cc1OC)C2 C3COC(C3CO2)c4ccc(c(c4)OC)OC; COc1ccc(cc 1OC)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(OC)c(O C)c4; COc1ccc(cc1OC)[C@H]2OC[C@H]3[C@@H] 2CO[C@@H]3c4ccc(OC)c(OC)c4 |
(3~{S},3~{a}~{R},6~{S},6~{a}~{R})-3,6-bis(3,4-dimethoxyphenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan |
| 15798 | A1EYP | 0 | C20 H29 N3 O4 | InChI=1S/C20H29N3O4/c1-20 (15-7-3-2-4-8-15)11-10-17 (13-16(20)14-23(26)27)22- 12-6-5-9-18(21)19(24)25/h 2-4,7-8,10-11,16-18,22H,5 -6,9,12-14,21H2,1H3,(H,24 ,25)/t16-,17-,18+,20+/m1/ s1; FSDRAZMHPCMBOI-XSYGEPLQSA-N |
C[C@]1(C=C[C@H](C[C@@H]1C[N+]([O-])=O)NC CCC[C@H](N)C(O)=O)c2ccccc2; CC1(C=CC(CC1 C[N+](=O)[O-])NCCCCC(C(=O)O)N)c2ccccc2; C[C@]1(C=C[C@H](C[C@@H]1C[N+](=O)[O-])NC CCC[C@@H](C(=O)O)N)c2ccccc2; C[C]1(C=C[C H](C[CH]1C[N+]([O-])=O)NCCCC[CH](N)C(O)= O)c2ccccc2 |
(2S)-2-azanyl-6-[[(1S,4R,5S)-4-methyl-5-(nitromethyl)-4-phenyl-cyclohex-2-en-1-yl]amino]hexanoic acid |
| 15799 | A1EZ0 | 1 | C23 H22 F N O4 | InChI=1S/C23H22FNO4/c24-1 8-10-6-9-17(13-18)22(29-1 5-20(25)23(26)27)19-11-4- 5-12-21(19)28-14-16-7-2-1 -3-8-16/h1-13,20,22H,14-1 5,25H2,(H,26,27)/t20-,22+ /m0/s1; ADUSZEGHFWRTQS-RBBKRZOGSA-N |
c1ccc(cc1)COc2ccccc2C(c3cccc(c3)F)OCC(C( =O)O)N; N[CH](CO[CH](c1cccc(F)c1)c2ccccc 2OCc3ccccc3)C(O)=O; c1ccc(cc1)COc2ccccc2 [C@@H](c3cccc(c3)F)OC[C@@H](C(=O)O)N; N[ C@@H](CO[C@H](c1cccc(F)c1)c2ccccc2OCc3cc ccc3)C(O)=O |
(2~{S})-2-azanyl-3-[(~{R})-(3-fluorophenyl)-(2-phenylmethoxyphenyl)methoxy]propanoic acid |
| 15800 | A1EZI | 12 | C36 H71 O8 P | InChI=1S/C36H71O8P/c1-4-6 -8-10-12-14-16-18-20-22-2 4-26-28-30-35(37)42-32-34 (33-43-45(39,40)41-3)44-3 6(38)31-29-27-25-23-21-19 -17-15-13-11-9-7-5-2/h34H ,4-33H2,1-3H3,(H,39,40)/t 34-/m0/s1; CNEFYRLODUDZLK-UMSFTDKQSA-N |
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O C)OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCC C(=O)OC[C@@H](CO[P](O)(=O)OC)OC(=O)CCCCC CCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(COP( =O)(O)OC)OC(=O)CCCCCCCCCCCCCCC; CCCCCCCC CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC)OC(=O) CCCCCCCCCCCCCCC |
[(2~{S})-2-hexadecanoyloxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] hexadecanoate |