 | | 1OD | | Name: | (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide | | Formula: | C31 H34 N4 O10 | | SMILES: | O=C(N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c2cccc(O)c2O)C3N=C(OC3C)c4cccc(O)c4O | | InChi: | InChI=1S/C31H34N4O10/c1-17-24(34-30(45-17)20-9-4-12-23(38)27(20)41)31(44)35(15-5-13-32-28(42)18-7-2-10-21(36)25(18)39)16-6-14-33-29(43)19-8-3-11-22(37)26(19)40/h2-4,7-12,17,24,36-41H,5-6,13-16H2,1H3,(H,32,42)(H,33,43)/t17-,24+/m1/s1 | | Synonyms: | fluvibactin | | Definition date: | 2013-06-17 | | Last modified: | 2021-03-01 | | Release date: | 2013-07-31 | | Identifier: | (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide |
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 | | I83 | | Name: | bis(chloranyl)-(dimethylamino)-(methylamino)platinum | | Formula: | C3 H10 Cl2 N2 Pt | | SMILES: | Cl[Pt](Cl)(NC)N(C)C | | InChi: | InChI=1S/C2H6N.CH4N.2ClH.Pt/c1-3-2 | | Synonyms: | trans-dimethylamine methylamine dichlorido platinum(II) | | Definition date: | 2014-06-09 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-30 | | Identifier: | platinum(4+) chloride dimethylazanide methylazanide (1:2:1:1) |
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 | | I84 | | Name: | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE | | Formula: | C19 H22 N2 O5 S | | SMILES: | O=C(Nc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)O)C)Cc2ccccc2C | | InChi: | InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24) | | Synonyms: | INHIBITOR IDD 384 | | Definition date: | 2000-03-21 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2,6-dimethyl-4-{[(2-methylphenyl)acetyl]amino}phenyl)sulfonyl]glycine |
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 | | 1PQ | | Name: | (4S)-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine | | Formula: | C15 H21 N3 O | | SMILES: | COc1cc(N[CH](C)CCCN)c2ncccc2c1 | | InChi: | InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1 | | Synonyms: | primaquine | | Definition date: | 2012-06-06 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-13 | | Identifier: | (4S)-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine |
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 | | 1PV | | Name: | [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | | Formula: | C27 H25 B F2 N2 O6 S | | SMILES: | Fc1c(B(O)O)ccc(c1)CN(c4c(cc2c(oc(c2C(=O)NC)c3ccc(F)cc3)c4)C5CC5)S(=O)(=O)C | | InChi: | InChI=1S/C27H25BF2N2O6S/c1-31-27(33)25-20-12-19(16-4-5-16)23(13-24(20)38-26(25)17-6-8-18(29)9-7-17)32(39(2,36)37)14-15-3-10-21(28(34)35)22(30)11-15/h3,6-13,16,34-35H,4-5,14H2,1-2H3,(H,31,33) | | Synonyms: | GSK5852 | | Definition date: | 2013-04-23 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-08 | | Identifier: | [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid |
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 | | 1QK | | Name: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium | | Formula: | C21 H29 N6 O2 | | SMILES: | n2c(cc(NCc1ccc[n+](O)c1)n3ncc(c23)CC)N4C(CCO)CCCC4 | | InChi: | InChI=1S/C21H29N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28-29H,2-4,7-8,10-11,13H2,1H3/q+1/t18-/m0/s1 | | Synonyms: | DINACICLIB | | Definition date: | 2013-04-26 | | Last modified: | 2021-03-01 | | Identifier: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium |
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 | | 1QW | | Name: | (2R)-2,3-dihydroxypropyl dodecanoate | | Formula: | C15 H30 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCCCCCCC | | InChi: | InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1 | | Synonyms: | 1-Lauroyl-rac-glycerol | | Definition date: | 2013-05-01 | | Last modified: | 2021-03-01 | | Release date: | 2013-09-18 | | Identifier: | (2R)-2,3-dihydroxypropyl dodecanoate |
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 | | 1R4 | | Name: | L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine | | Formula: | C18 H22 N4 O9 S | | SMILES: | O=[N+]([O-])c1ccc(C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1 | | InChi: | InChI=1S/C18H22N4O9S/c19-12(18(28)29)5-6-15(24)21-13(17(27)20-7-16(25)26)8-32-9-14(23)10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/t12-,13-/m0/s1 | | Synonyms: | S-(4-nitrophenacyl)glutathione | | Definition date: | 2013-01-22 | | Last modified: | 2021-03-01 | | Release date: | 2013-04-24 | | Identifier: | L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine |
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 | | IAA | | Name: | ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID | | Formula: | C18 H13 N3 O4 | | SMILES: | O=C(O)CON=C3/C4=CC=CCC4=N/C3=C1/C2=CC=CCC2=NC1=O | | InChi: | InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+ | | Synonyms: | 2-{O-[2'-(2-OXO-(2H3H)INDOLE-3-YLIDENE)-(2'H3'H)INDOLE-3'-YLIDENE]-AMINOOXY}-ACETATE | | Definition date: | 2005-03-23 | | Last modified: | 2021-03-01 | | Identifier: | ({[(2Z,3E)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid |
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 | | IAC | | Name: | 1H-INDOL-3-YLACETIC ACID | | Formula: | C10 H9 N O2 | | SMILES: | O=C(O)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) | | Synonyms: | INDOLE ACETIC ACID | | Definition date: | 2007-02-23 | | Last modified: | 2021-03-01 | | Identifier: | 1H-indol-3-ylacetic acid |
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 | | IB2 | | Name: | P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE | | Formula: | C21 H29 N10 O14 P3 S | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](S)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O | | InChi: | InChI=1S/C21H29N10O14P3S/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(43-20)1-41-46(36,37)7-47(38,39)45-48(40,49)42-2-9-13(33)15(35)21(44-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H,40,49)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-,48-/m1/s1 | | Synonyms: | ADO-P-CH2-P-PS-ADO | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphinic acid |
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 | | IBI | | Name: | N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide | | Formula: | C34 H50 N8 O3 | | SMILES: | O=C6N(c1c(nc(nc1)Nc2ccc(cc2OC)C(=O)NC5CCC(N3CCN(CC3)CC4CC4)CC5)N(C(C)C)C6CC)C | | InChi: | InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1 | | Synonyms: | Volasertib | | Definition date: | 2008-11-25 | | Last modified: | 2021-03-01 | | Identifier: | N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide |
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 | | 1SQ | | Name: | ISOQUINOLIN-1-AMINE | | Formula: | C9 H8 N2 | | SMILES: | n1c(c2c(cc1)cccc2)N | | InChi: | InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11) | | Synonyms: | 1-AMINO-ISOQUINOLINE | | Definition date: | 2007-01-12 | | Last modified: | 2021-03-01 | | Identifier: | isoquinolin-1-amine |
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 | | 1SZ | | Name: | N-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide | | Formula: | C58 H71 N21 O10 | | SMILES: | O=C(NCCCN(C)C)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cc(cn4C)NC(=O)CCCNC(=O)c5cc(cn5C)NC(=O)c8nc(NC(=O)c7cc(NC(=O)c6nccn6C)cn7C)cn8C | | InChi: | InChI=1S/C58H71N21O10/c1-71(2)19-12-16-59-47(80)14-17-62-52(83)41-22-35(28-73(41)4)64-54(85)43-25-37(30-76(43)7)66-55(86)44-24-36(29-77(44)8)65-53(84)42-21-34(27-75(42)6)63-48(81)13-11-15-61-51(82)40-23-38(31-74(40)5)68-58(89)50-69-46(33-79(50)10)70-56(87)45-26-39(32-78(45)9)67-57(88)49-60-18-20-72(49)3/h18,20-33H,11-17,19H2,1-10H3,(H,59,80)(H,61,82)(H,62,83)(H,63,81)(H,64,85)(H,65,84)(H,66,86)(H,67,88)(H,68,89)(H,70,87) | | Synonyms: | PYRROLE-IMIDAZOLE POLYAMIDE | | Definition date: | 2013-07-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-07-17 | | Identifier: | N-(5-{[4-({5-[(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}amino)-4-oxobutyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-imidazole-2-carboxamide |
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 | | IDD | | Name: | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C14 H16 N2 O4 | | SMILES: | OC2c1nc(cn1C(C(O)C2O)CO)c3ccccc3 | | InChi: | InChI=1S/C14H16N2O4/c17-7-10-11(18)12(19)13(20)14-15-9(6-16(10)14)8-4-2-1-3-5-8/h1-6,10-13,17-20H,7H2/t10-,11-,12+,13-/m1/s1 | | Synonyms: | GLUCO-PHENYLIMIDAZOLE | | Definition date: | 2002-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (5R,6R,7S,8S)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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 | | IDE | | Name: | (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C15 H19 N3 O4 | | SMILES: | OC2c1nc(cn1C(C(O)C2O)CO)CNc3ccccc3 | | InChi: | InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14-/m1/s1 | | Synonyms: | ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE | | Definition date: | 2005-05-11 | | Last modified: | 2021-03-01 | | Identifier: | (5R,6R,7S,8S)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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 | | 1UN | | Name: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE | | Formula: | C32 H45 N3 O4 S | | SMILES: | O=C(c1cccc(O)c1C)NC(CSc2ccccc2)C(O)CN4C(C(=O)NC(C)(C)C)CC3CCCCC3C4 | | InChi: | InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1 | | Synonyms: | NELFINAVIR MESYLATE AG1343 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide |
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 | | 1WF | | Name: | 4-[(2S)-2-(methylamino)propyl]phenol | | Formula: | C10 H15 N O | | SMILES: | Oc1ccc(cc1)CC(NC)C | | InChi: | InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1 | | Synonyms: | 4-Hydroxymethamphetamine | | Definition date: | 2013-07-05 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | 4-[(2S)-2-(methylamino)propyl]phenol |
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 | | 1WO | | Name: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione | | Formula: | C20 H26 O3 | | SMILES: | O=C2C(=CC1=CC(=O)C3C(C1=C2O)(CCCC3(C)C)C)C(C)C | | InChi: | InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1 | | Synonyms: | taxodione | | Definition date: | 2014-02-24 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-02 | | Identifier: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione |
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 | | IHU | | Name: | N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA | | Formula: | C15 H12 Cl F N2 O4 | | SMILES: | O=C(c1ccc(F)cc1Cl)NC(=O)Nc2cc(O)ccc2OC | | InChi: | InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22) | | Synonyms: | 1-(2-CHLORO-4-FLUORO-BENZOYL)-3-(5-HYDROXY-2-METHOXY-PHENYL)-UREA | | Definition date: | 2005-08-29 | | Last modified: | 2021-03-01 | | Identifier: | 2-chloro-4-fluoro-N-[(5-hydroxy-2-methoxyphenyl)carbamoyl]benzamide |
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 | | 1YN | | Name: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C35 H38 Cl2 N8 O4 | | SMILES: | O=C1N(N=CN1c2ccc(cc2)N7CCN(c6ccc(OCC3OC(OC3)(c4ccc(Cl)cc4Cl)Cn5ncnc5)cc6)CC7)C(C)CC | | InChi: | InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1 | | Synonyms: | Itraconazole | | Definition date: | 2013-08-05 | | Last modified: | 2021-03-01 | | Release date: | 2014-01-29 | | Identifier: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | IIB | | Name: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C27 H28 Cl N5 O2 S | | SMILES: | Clc5sc(c1onc(c1)Cn4c2c(cccc2c(C#N)c4C(=O)NC3CCN(C(C)C)CC3)C)cc5 | | InChi: | InChI=1S/C27H28ClN5O2S/c1-16(2)32-11-9-18(10-12-32)30-27(34)26-21(14-29)20-6-4-5-17(3)25(20)33(26)15-19-13-22(35-31-19)23-7-8-24(28)36-23/h4-8,13,16,18H,9-12,15H2,1-3H3,(H,30,34) | | Synonyms: | 1-[5-(5-CHLORO-THIOPHEN-2-YL)-ISOXAZOL-3-YLMETHYL]-3-CYANO-7-METHYL-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN-4-YL)-AMIDE | | Definition date: | 2005-04-27 | | Last modified: | 2021-03-01 | | Identifier: | 1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-3-cyano-7-methyl-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide |
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 | | IID | | Name: | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C25 H31 N3 O2 | | SMILES: | O=C(NC1CCN(C(C)C)CC1)c3cc2ccccc2n3Cc4cccc(OC)c4 | | InChi: | InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29) | | Synonyms: | 1-(3-METHOXY-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN- 4-YL)-AMIDE | | Definition date: | 2005-04-27 | | Last modified: | 2021-03-01 | | Identifier: | 1-(3-methoxybenzyl)-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide |
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 | | 20D | | Name: | 2-(4-fluorophenyl)-4H-chromen-4-one | | Formula: | C15 H9 F O2 | | SMILES: | Fc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 | | InChi: | InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H | | Synonyms: | 4'-fluoroflavone | | Definition date: | 2012-10-19 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-26 | | Identifier: | 2-(4-fluorophenyl)-4H-chromen-4-one |
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 | | IKM | | Name: | (4aS,5aR,6R,8aS,8bS)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1H-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid | | Formula: | C12 H14 N2 O6 | | SMILES: | O=C(O)C3NC(=O)C2C3(OC1C=CCNC12)CC(=O)O | | InChi: | InChI=1S/C12H14N2O6/c15-6(16)4-12-7(10(17)14-9(12)11(18)19)8-5(20-12)2-1-3-13-8/h1-2,5,7-9,13H,3-4H2,(H,14,17)(H,15,16)(H,18,19)/t5-,7+,8+,9-,12+/m0/s1 | | Synonyms: | IKM-159 | | Definition date: | 2013-01-23 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-20 | | Identifier: | (4aS,5aR,6R,8aS,8bS)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1H-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid |
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