 | | F27 | | Name: | 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid | | Formula: | C24 H18 N2 O4 | | SMILES: | O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4 | | InChi: | InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29) | | Synonyms: | 6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate | | Definition date: | 2009-10-20 | | Last modified: | 2020-06-17 | | Identifier: | 6-{2-[3-(biphenyl-4-yl)propanoyl]-1,3-oxazol-5-yl}pyridine-2-carboxylic acid |
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 | | H02 | | Name: | N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID | | Formula: | C35 H42 N4 O4 | | SMILES: | O=C(O)CCC5=C(C=2NC5=Cc1c(c(c(n1)C=C4C(=C(C(=Cc3nc(C=2)c(c3CC)C)N4C)C)CC)C)CCC(=O)O)C | | InChi: | InChI=1S/C35H42N4O4/c1-8-22-18(3)26-14-27-19(4)24(10-12-34(40)41)29(36-27)15-30-25(11-13-35(42)43)20(5)28(38-30)16-33-23(9-2)21(6)32(39(33)7)17-31(22)37-26/h14-17,36-38H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16- | | Synonyms: | 3,3'-(7,12-DIETHYL-3,8,13,17,22-PENTAMETHYL-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID | | Definition date: | 2007-06-15 | | Last modified: | 2020-06-17 | | Identifier: | 3,3'-(7,12-diethyl-3,8,13,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid |
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 | | 5OZ | | Name: | 2-methylpropanal | | Formula: | C4 H8 O | | SMILES: | CC(C)C=O | | InChi: | InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 | | Synonyms: | Isobutyraldehyde | | Definition date: | 2015-11-03 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-16 | | Identifier: | 2-methylpropanal |
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 | | 5PA | | Name: | N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID | | Formula: | C12 H17 N2 O7 P | | SMILES: | O=C(O)C2(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC2 | | InChi: | InChI=1S/C12H17N2O7P/c1-7-10(15)9(5-14-12(2-3-12)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,2-3,5-6H2,1H3,(H,16,17)(H2,18,19,20) | | Synonyms: | N-PYRIDOXYL-1-AMINO-CYCLOPROPANECARBOXYLIC ACID-5-MONOPHOSPHATE | | Definition date: | 1999-10-21 | | Last modified: | 2020-06-17 | | Identifier: | 1-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopropanecarboxylic acid |
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 | | 5PI | | Name: | N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE | | Formula: | C29 H39 N7 O6 S | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2cc(OCCC)ccc2nc3)CCC(=O)N | | InChi: | InChI=1S/C29H39N7O6S/c1-3-13-42-21-9-10-23-22(15-21)20(17-33-23)14-25(36-43(40,41)4-2)29(39)35-24(11-12-26(30)37)28(38)34-16-18-5-7-19(8-6-18)27(31)32/h5-10,15,17,24-25,33,36H,3-4,11-14,16H2,1-2H3,(H2,30,37)(H3,31,32)(H,34,38)(H,35,39)/t24-,25+/m0/s1 | | Synonyms: | 2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE
1-(4-CARBAMIMIDOYL-BENZYLAMIDE) | | Definition date: | 2004-12-17 | | Last modified: | 2020-06-17 | | Identifier: | N-(ethylsulfonyl)-5-propoxy-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide |
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 | | H1L | | Name: | (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid | | Formula: | C15 H11 Cl F3 N O4 | | SMILES: | O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C | | InChi: | InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1 | | Synonyms: | HALOXYFOP INHIBITOR, R enantiomer | | Definition date: | 2004-03-02 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid |
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 | | HPV | | Name: | 2-oxo-3-(phosphonooxy)propanoic acid | | Formula: | C3 H5 O7 P | | SMILES: | O=P(O)(O)OCC(=O)C(=O)O | | InChi: | InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9) | | Synonyms: | Hydroxypyruvic acid phosphate | | Definition date: | 2008-06-09 | | Last modified: | 2020-06-17 | | Identifier: | 2-oxo-3-(phosphonooxy)propanoic acid |
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 | | 612 | | Name: | 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C16 H26 N2 O3 S | | SMILES: | O=C2C(=C(SC1CCCCC1)N(C(=O)N2)COCC)C(C)C | | InChi: | InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20) | | Synonyms: | TNK-6123 | | Definition date: | 1999-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione |
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 | | HSS | | Name: | 5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE | | Formula: | C16 H21 N9 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4 | | InChi: | InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1 | | Synonyms: | 5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE | | Definition date: | 2007-05-25 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-histidylsulfamoyl)adenosine |
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 | | 61M | | Name: | 3-(2-aminophenyl)-3-oxopropanoic acid | | Formula: | C9 H9 N O3 | | SMILES: | C(C(O)=O)C(c1ccccc1N)=O | | InChi: | InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13) | | Synonyms: | 2-aminobenzoylacetate | | Definition date: | 2016-01-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-04-27 | | Identifier: | 3-(2-aminophenyl)-3-oxopropanoic acid |
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 | | HU2 | | Name: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI
C ACID | | Formula: | C34 H52 N4 O7 | | SMILES: | O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1)CCC)CC(C)C)C(C/C=C/CC(C)C)C(C)C | | InChi: | InChI=1S/C34H52N4O7/c1-8-14-26(30(40)33(43)35-20-28(39)38-29(34(44)45)24-16-10-9-11-17-24)36-32(42)27(19-22(4)5)37-31(41)25(23(6)7)18-13-12-15-21(2)3/h9-13,16-17,21-23,25-27,29H,8,14-15,18-20H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)(H,38,39)(H,44,45)/b13-12+/t25-,26-,27-,29-/m0/s1 | | Synonyms: | Ketoamide Inhibitor CVS4819, bound form | | Definition date: | 2007-01-09 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-7-methyl-2-(propan-2-yl)oct-4-enoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid |
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 | | HUI | | Name: | (2S)-2-methyl-3-oxidanyl-propanoic acid | | Formula: | C4 H8 O3 | | SMILES: | C[CH](CO)C(O)=O | | InChi: | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 | | Synonyms: | (S)-3-hydroxyisobutyric acid | | Definition date: | 2017-08-29 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-11 | | Identifier: | (2~{S})-2-methyl-3-oxidanyl-propanoic acid |
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 | | HWD | | Name: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H9 N3 O4 | | SMILES: | O=C(O)C(N)CN1C=CC(=O)NC1=O | | InChi: | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 | | Synonyms: | WILLARDIINE | | Definition date: | 2002-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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 | | HZH | | Name: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one | | Formula: | C11 H11 F3 O S | | SMILES: | FC(F)(F)C(=O)CSCCc1ccccc1 | | InChi: | InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 | | Synonyms: | 3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP | | Definition date: | 2008-06-11 | | Last modified: | 2020-06-17 | | Identifier: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one |
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 | | N38 | | Name: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-
alaninamide | | Formula: | C26 H41 N3 O7 S | | SMILES: | COc3ccc(OCCCS(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O)cc3 | | InChi: | InChI=1S/C26H41N3O7S/c1-35-22-8-10-23(11-9-22)36-14-5-15-37(33,34)29-24(16-19-6-3-2-4-7-19)26(32)28-21(18-30)17-20-12-13-27-25(20)31/h8-11,19-21,24,29-30H,2-7,12-18H2,1H3,(H,27,31)(H,28,32)/t20-,21-,24-/m0/s1 | | Synonyms: | 3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan
inamide (bound form) | | Definition date: | 2016-09-12 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-23 | | Identifier: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide |
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 | | N3A | | Name: | 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap
hthalen-8-yl]propanoyl}amino)benzoic acid | | Formula: | C24 H27 N O7 | | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC32C/C(=C)C(CC2O)CC34)C | | InChi: | InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1 | | Synonyms: | Platencin A1 | | Definition date: | 2009-06-03 | | Last modified: | 2020-06-17 | | Identifier: | 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid |
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 | | N69 | | Name: | 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE | | Formula: | C15 H23 N5 O | | SMILES: | n2c(OCC1CCCCC1)c3nc(nc3nc2N)C(C)C | | InChi: | InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20) | | Synonyms: | INHIBITOR OF CDK2 | | Definition date: | 2004-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 6-(cyclohexylmethoxy)-8-(1-methylethyl)-9H-purin-2-amine |
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 | | N6S | | Name: | (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate | | Formula: | C19 H22 N5 O6 P | | SMILES: | O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O | | InChi: | InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13-,15+,16-,19+/m0/s1 | | Synonyms: | (2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphi
nine-2,7-diol 2-oxide | | Definition date: | 2009-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide |
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 | | NA9 | | Name: | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | | Formula: | C22 H34 N6 O4 | | SMILES: | O=C(O)CNC(C(=O)N(C)C(C(=O)NCc1cnc(C(=[N@H])N)cc1)C)CC2CCCCC2 | | InChi: | InChI=1S/C22H34N6O4/c1-14(21(31)27-12-16-8-9-17(20(23)24)25-11-16)28(2)22(32)18(26-13-19(29)30)10-15-6-4-3-5-7-15/h8-9,11,14-15,18,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,31)(H,29,30)/t14-,18+/m0/s1 | | Synonyms: | 2-((R)-1-(((S)-1-((6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLAMINO)-1-OXOPROPAN-2-YL)(METHYL)AMINO)-3-CYCLOHEXYL-1-OXOPROPAN-2-
YLAMINO)ACETIC ACID | | Definition date: | 2006-10-27 | | Last modified: | 2020-06-17 | | Identifier: | N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(6-carbamimidoylpyridin-3-yl)methyl]-N~2~-methyl-L-alaninamide |
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 | | 4JS | | Name: | N-(quinolin-3-yl)propanamide | | Formula: | C12 H12 N2 O | | SMILES: | n1c2ccccc2cc(c1)NC(CC)=O | | InChi: | InChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15) | | Synonyms: | N-(quinolin-3-yl)prop-2-enamide, bound form | | Definition date: | 2015-03-23 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-12 | | Identifier: | N-(quinolin-3-yl)propanamide |
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 | | NAZ | | Name: | N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET
A-ALANINAMIDE | | Formula: | C24 H25 N7 O3 | | SMILES: | O=C(Nc1nc2nc(ccc2cc1)C)CCNCCC(=O)NCc4nc3c(C=CC(=O)N3)cc4 | | InChi: | InChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34) | | Synonyms: | NAPHTYRIDINE-AZAQUINOLONE | | Definition date: | 2005-04-25 | | Last modified: | 2020-06-17 | | Identifier: | 3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name) |
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 | | NCL | | Name: | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | | Formula: | C31 H41 N5 O2 | | SMILES: | O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCC(C4)C)CCN5CCCC(C)C5 | | InChi: | InChI=1S/C31H41N5O2/c1-22-5-3-13-35(20-22)15-11-30(37)32-26-9-7-24-17-25-8-10-27(19-29(25)34-28(24)18-26)33-31(38)12-16-36-14-4-6-23(2)21-36/h7-10,17-19,22-23H,3-6,11-16,20-21H2,1-2H3,(H,32,37)(H,33,38)/t22-,23-/m1/s1 | | Synonyms: | N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide} | | Definition date: | 2008-10-08 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide} |
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 | | 4O6 | | Name: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide | | Formula: | C19 H24 Cl N3 O5 S | | SMILES: | O=C(N1CCOCC1)C(N3C(=O)C(NS(=O)(=O)C=Cc2ccc(Cl)cc2)CC3)C | | InChi: | InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-9-11-28-12-10-22)23-8-6-17(19(23)25)21-29(26,27)13-7-15-2-4-16(20)5-3-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3/b13-7+/t14-,17-/m0/s1 | | Synonyms: | GTC000406 | | Definition date: | 2015-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide |
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 | | NF | | Name: | N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHALIMIDE | | Formula: | C31 H30 N4 O4 | | SMILES: | O=C3c1c2c(ccc1)cccc2C(=O)N3CC[NH2+]CCC[NH2+]CCN6C(=O)c5cccc4cccc(c45)C6=O | | InChi: | InChI=1S/C31H28N4O4/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39/h1-4,6-13,32-33H,5,14-19H2/p+2 | | Synonyms: | LU-79553 | | Definition date: | 1999-09-02 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-bis[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]propane-1,3-diaminium |
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 | | 633 | | Name: | N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide | | Formula: | C26 H29 N7 O2 | | SMILES: | c12c(nc(nc1ncc2)Nc4ccc(N3CCN(CC3)C)cc4)Oc5cc(NC(CC)=O)ccc5 | | InChi: | InChI=1S/C26H29N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h4-12,17H,3,13-16H2,1-2H3,(H,28,34)(H2,27,29,30,31) | | Synonyms: | Bound form of
N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | Definition date: | 2016-01-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-03 | | Identifier: | N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide |
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