 | | 4N8 | | Name: | 1-[(furan-2-ylmethyl)carbamothioyl]-L-proline | | Formula: | C11 H14 N2 O3 S | | SMILES: | C(C1N(CCC1)C(=S)NCc2occc2)(=O)O | | InChi: | InChI=1S/C11H14N2O3S/c14-10(15)9-4-1-5-13(9)11(17)12-7-8-3-2-6-16-8/h2-3,6,9H,1,4-5,7H2,(H,12,17)(H,14,15)/t9-/m0/s1 | | Definition date: | 2015-04-20 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | 1-[(furan-2-ylmethyl)carbamothioyl]-L-proline |
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 | | 4N9 | | Name: | 1-[(4-cyanobenzyl)carbamothioyl]-L-proline | | Formula: | C14 H15 N3 O2 S | | SMILES: | C(=O)(O)C2N(C(NCc1ccc(cc1)C#N)=S)CCC2 | | InChi: | InChI=1S/C14H15N3O2S/c15-8-10-3-5-11(6-4-10)9-16-14(20)17-7-1-2-12(17)13(18)19/h3-6,12H,1-2,7,9H2,(H,16,20)(H,18,19)/t12-/m0/s1 | | Definition date: | 2015-04-20 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | 1-[(4-cyanobenzyl)carbamothioyl]-L-proline |
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 | | IPV | | Name: | [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol | | Formula: | C24 H29 N5 O4 S | | SMILES: | CN(c1ccnc(Nc2cc(cc(c2)[S](C)(=O)=O)N3CCOCC3)n1)c4cc(CO)ccc4C | | InChi: | InChI=1S/C24H29N5O4S/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(29-8-10-33-11-9-29)15-21(14-19)34(3,31)32/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27) | | Definition date: | 2016-06-08 | | Last modified: | 2016-09-23 | | Release date: | 2016-09-28 | | Identifier: | [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol |
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 | | XH8 | | Name: | 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2- | | Formula: | C18 H20 N4 | | SMILES: | Nc1ccc2ccc(CNCCCc3cccnc3)cc2n1 | | InChi: | InChI=1S/C18H20N4/c19-18-8-7-16-6-5-15(11-17(16)22-18)13-21-10-2-4-14-3-1-9-20-12-14/h1,3,5-9,11-12,21H,2,4,10,13H2,(H2,19,22) | | Definition date: | 2016-06-18 | | Last modified: | 2016-09-16 | | Release date: | 2016-09-21 | | Identifier: | 7-[(3-pyridin-3-ylpropylamino)methyl]quinolin-2-amine |
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 | | M5K | | Name: | 4-METHYLQUINOLIN-2-AMINE | | Formula: | C10 H10 N2 | | SMILES: | Cc1cc(N)nc2ccccc12 | | InChi: | InChI=1S/C10H10N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,11,12) | | Definition date: | 2016-06-18 | | Last modified: | 2016-09-16 | | Release date: | 2016-09-21 | | Identifier: | 4-methylquinolin-2-amine |
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 | | 6U5 | | Name: | ~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide | | Formula: | C12 H17 N3 O2 S | | SMILES: | CCCC[S](=O)(=O)Nc1ccc2cnn(C)c2c1 | | InChi: | InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3 | | Definition date: | 2016-06-24 | | Last modified: | 2016-09-16 | | Release date: | 2016-09-21 | | Identifier: | ~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide |
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 | | 75H | | Name: | N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | | Formula: | C31 H29 F N4 O5 | | SMILES: | COc1cc2c(cc1)c(ccn2)Oc3c(F)cc(cc3)NC(=O)C=4C(=O)N(N(C=4C)CC(C)(C)O)c5ccccc5 | | InChi: | InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(21-8-6-5-7-9-21)35(19)18-31(2,3)39)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(40-4)11-12-23(25)26/h5-17,39H,18H2,1-4H3,(H,34,37) | | Definition date: | 2016-08-29 | | Last modified: | 2016-09-16 | | Release date: | 2016-09-21 | | Identifier: | N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide |
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 | | 767 | | Name: | N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine | | Formula: | C17 H27 N5 O2 | | SMILES: | COc1cc2nc(NCCCN(C)C)nc(N(C)C)c2cc1OC | | InChi: | InChI=1S/C17H27N5O2/c1-21(2)9-7-8-18-17-19-13-11-15(24-6)14(23-5)10-12(13)16(20-17)22(3)4/h10-11H,7-9H2,1-6H3,(H,18,19,20) | | Definition date: | 2016-06-17 | | Last modified: | 2016-09-16 | | Release date: | 2016-09-21 | | Identifier: | ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4,~{N}4-dimethyl-quinazoline-2,4-diamine |
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 | | JHT | | Name: | 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine | | Formula: | C19 H22 N4 | | SMILES: | CN(C)c1cccc(CNCc2ccc3ccc(N)nc3c2)c1 | | InChi: | InChI=1S/C19H22N4/c1-23(2)17-5-3-4-14(10-17)12-21-13-15-6-7-16-8-9-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22) | | Definition date: | 2016-06-18 | | Last modified: | 2016-09-16 | | Release date: | 2016-09-21 | | Identifier: | 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine |
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 | | 6PW | | Name: | 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol | | Formula: | C24 H33 N3 O3 | | SMILES: | O4CCC(NC(=O)C1C(C)(C)CN(CC1)c2ccc3c(n2)c(ccc3)C)CC4CO | | InChi: | InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1 | | Definition date: | 2016-05-18 | | Last modified: | 2016-09-09 | | Release date: | 2016-09-14 | | Identifier: | 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol |
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 | | GN2 | | Name: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | | Formula: | C25 H23 Cl N2 O3 S2 | | SMILES: | OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5 | | InChi: | InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m0/s1 | | Definition date: | 2016-07-28 | | Last modified: | 2016-09-09 | | Release date: | 2016-09-14 | | Identifier: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one |
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 | | 59B | | Name: | morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone | | Formula: | C19 H17 N7 O2 | | SMILES: | c4c(Nc1c3n(c2c(n1)cccc2)nnn3)ccc(c4)C(=O)N5CCOCC5 | | InChi: | InChI=1S/C19H17N7O2/c27-19(25-9-11-28-12-10-25)13-5-7-14(8-6-13)20-17-18-22-23-24-26(18)16-4-2-1-3-15(16)21-17/h1-8H,9-12H2,(H,20,21) | | Definition date: | 2015-08-26 | | Last modified: | 2016-09-02 | | Release date: | 2016-09-07 | | Identifier: | morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone |
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 | | 6U7 | | Name: | 6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine | | Formula: | C23 H21 N3 O3 | | SMILES: | COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC | | InChi: | InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26) | | Definition date: | 2016-06-27 | | Last modified: | 2016-08-24 | | Release date: | 2016-08-31 | | Identifier: | 6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine |
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 | | 6MV | | Name: | 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide | | Formula: | C30 H23 F N4 O3 | | SMILES: | c6c5c1c(c(ccc1c2cccc(c2F)N4C(=O)c3c(cccc3)N=C4)C(N)=O)nc5cc(C(C)(C)O)c6 | | InChi: | InChI=1S/C30H23FN4O3/c1-30(2,38)16-10-11-19-23(14-16)34-27-21(28(32)36)13-12-17(25(19)27)18-7-5-9-24(26(18)31)35-15-33-22-8-4-3-6-20(22)29(35)37/h3-15,34,38H,1-2H3,(H2,32,36) | | Definition date: | 2016-05-09 | | Last modified: | 2016-08-24 | | Release date: | 2016-08-31 | | Identifier: | 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide |
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 | | 6DA | | Name: | N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine | | Formula: | C28 H25 N7 O S | | SMILES: | C(CNc6nc5c(cc(n4cnc3cnc2c(cc(c1ccccc1)nc2)c34)cc5)s6)N7CCOCC7 | | InChi: | InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33) | | Definition date: | 2016-03-17 | | Last modified: | 2016-08-18 | | Release date: | 2016-08-23 | | Identifier: | N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine |
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 | | 58V | | Name: | (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone | | Formula: | C23 H22 Cl N7 O2 | | SMILES: | c1cc(cc(c1C(N2CCOCC2)=O)Cl)Nc6c3n(c(cn3)c4cnnc4)cc(C5CC5)n6 | | InChi: | InChI=1S/C23H22ClN7O2/c24-18-9-16(3-4-17(18)23(32)30-5-7-33-8-6-30)28-21-22-25-12-20(15-10-26-27-11-15)31(22)13-19(29-21)14-1-2-14/h3-4,9-14H,1-2,5-8H2,(H,26,27)(H,28,29) | | Definition date: | 2015-08-26 | | Last modified: | 2016-08-18 | | Release date: | 2016-08-23 | | Identifier: | (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone |
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 | | 6RC | | Name: | 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine | | Formula: | C26 H27 N7 O3 | | SMILES: | COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24 | | InChi: | InChI=1S/C26H27N7O3/c1-34-11-10-32-16-20(14-28-32)23-15-27-25(31-8-12-35-13-9-31)26-29-21(17-33(23)26)18-36-24-7-6-19-4-2-3-5-22(19)30-24/h2-7,14-17H,8-13,18H2,1H3 | | Definition date: | 2016-06-01 | | Last modified: | 2016-08-18 | | Release date: | 2016-08-23 | | Identifier: | 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine |
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 | | 58C | | Name: | cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol | | Formula: | C21 H21 N5 O2 | | SMILES: | c12cccc(c1nc(nc2)Nc4ccc3c(ncn3)c4)OC5CCC(CC5)O | | InChi: | InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)/t15-,16+ | | Definition date: | 2015-08-20 | | Last modified: | 2016-08-12 | | Release date: | 2016-08-17 | | Identifier: | cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol |
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 | | 6HJ | | Name: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one | | Formula: | C22 H23 N7 O | | SMILES: | c12ncnc(c1c(nn2C3CN(C(/C=C)=O)CCC3)c5c4ccccc4n(c5)C)N | | InChi: | InChI=1S/C22H23N7O/c1-3-18(30)28-10-6-7-14(11-28)29-22-19(21(23)24-13-25-22)20(26-29)16-12-27(2)17-9-5-4-8-15(16)17/h3-5,8-9,12-14H,1,6-7,10-11H2,2H3,(H2,23,24,25)/t14-/m1/s1 | | Definition date: | 2016-04-12 | | Last modified: | 2016-08-12 | | Release date: | 2016-08-17 | | Identifier: | 1-{(3R)-3-[4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one |
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 | | TX6 | | Name: | (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile | | Formula: | C17 H21 N3 O2 | | SMILES: | N#CC1=C(C(C3C(C1)(C)c2nc(C)nc(c2CC3)OC)C)O | | InChi: | InChI=1S/C17H21N3O2/c1-9-13-6-5-12-15(19-10(2)20-16(12)22-4)17(13,3)7-11(8-18)14(9)21/h9,13,21H,5-7H2,1-4H3/t9-,13-,17-/m0/s1 | | Definition date: | 2015-08-20 | | Last modified: | 2016-08-05 | | Release date: | 2016-08-10 | | Identifier: | (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile |
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 | | 6CY | | Name: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile | | Formula: | C28 H24 N6 O3 | | SMILES: | C5N(C(=O)C)CCN(C(=O)c1cc(ccc1)c2ncnc4c2cc(c3cc(c(OC)nc3)C#N)cc4)C5 | | InChi: | InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3 | | Definition date: | 2016-03-15 | | Last modified: | 2016-08-05 | | Release date: | 2016-08-10 | | Identifier: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile |
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 | | 6DC | | Name: | N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide | | Formula: | C19 H19 N5 O3 S | | SMILES: | CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(N(C=N3)C)=O | | InChi: | InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3 | | Definition date: | 2016-03-17 | | Last modified: | 2016-08-05 | | Release date: | 2016-08-10 | | Identifier: | N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide |
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 | | 6OK | | Name: | 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C19 H20 N6 O2 | | SMILES: | c1c4c(cc2c1nc(n2)NCCc3ccc(cc3)CCO)N=C(NC4=O)N | | InChi: | InChI=1S/C19H20N6O2/c20-18-22-14-10-16-15(9-13(14)17(27)25-18)23-19(24-16)21-7-5-11-1-3-12(4-2-11)6-8-26/h1-4,9-10,26H,5-8H2,(H2,21,23,24)(H3,20,22,25,27) | | Definition date: | 2016-05-13 | | Last modified: | 2016-08-05 | | Release date: | 2016-08-10 | | Identifier: | 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | 6P6 | | Name: | 1-(4-phenylazanylquinazolin-7-yl)ethanone | | Formula: | C16 H13 N3 O | | SMILES: | CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1 | | InChi: | InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19) | | Definition date: | 2016-05-31 | | Last modified: | 2016-08-05 | | Release date: | 2016-08-10 | | Identifier: | 1-(4-phenylazanylquinazolin-7-yl)ethanone |
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 | | 6P8 | | Name: | ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide | | Formula: | C16 H14 N4 O | | SMILES: | CC(=O)Nc1ccc2c(Nc3ccccc3)ncnc2c1 | | InChi: | InChI=1S/C16H14N4O/c1-11(21)19-13-7-8-14-15(9-13)17-10-18-16(14)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)(H,17,18,20) | | Definition date: | 2016-05-31 | | Last modified: | 2016-08-05 | | Release date: | 2016-08-10 | | Identifier: | ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide |
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