 | | 2F1 | | Name: | 1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea | | Formula: | C19 H21 Br N2 O | | SMILES: | Brc2ccc(NC(=O)NC(c1cccc(/C(=C)C)c1)(C)C)cc2 | | InChi: | InChI=1S/C19H21BrN2O/c1-13(2)14-6-5-7-15(12-14)19(3,4)22-18(23)21-17-10-8-16(20)9-11-17/h5-12H,1H2,2-4H3,(H2,21,22,23) | | Definition date: | 2013-10-03 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 | | Identifier: | 1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea |
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 | | PV2 | | Name: | 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol | | Formula: | C14 H13 N O4 S | | SMILES: | O=S(=O)(c1ccc(O)cc1O)N3Cc2ccccc2C3 | | InChi: | InChI=1S/C14H13NO4S/c16-12-5-6-14(13(17)7-12)20(18,19)15-8-10-3-1-2-4-11(10)9-15/h1-7,16-17H,8-9H2 | | Definition date: | 2013-09-13 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 | | Identifier: | 4-(1,3-dihydro-2H-isoindol-2-ylsulfonyl)benzene-1,3-diol |
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 | | 1JY | | Name: | N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid | | Formula: | C32 H33 N5 O10 | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)C4c3c(cc2c(C(=O)N=C(N2)CO)c3)CC4)CCC(=O)O | | InChi: | InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1 | | Definition date: | 2013-02-22 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid |
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 | | 2NW | | Name: | 3-bromoquinolin-4-amine | | Formula: | C9 H7 Br N2 | | SMILES: | Brc1c(c2ccccc2nc1)N | | InChi: | InChI=1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12) | | Definition date: | 2013-12-11 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 3-bromoquinolin-4-amine |
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 | | 2NY | | Name: | N~2~,N~2~-diethylquinazoline-2,4-diamine | | Formula: | C12 H16 N4 | | SMILES: | n2c1c(cccc1)c(nc2N(CC)CC)N | | InChi: | InChI=1S/C12H16N4/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3,(H2,13,14,15) | | Definition date: | 2013-12-11 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N~2~,N~2~-diethylquinazoline-2,4-diamine |
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 | | 2C6 | | Name: | 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide | | Formula: | C25 H25 N5 O3 S | | SMILES: | O=C4c5ccccc5N=C(SCCC(=O)NC3CCC(c1nnc(o1)c2ccccc2)CC3)N4 | | InChi: | InChI=1S/C25H25N5O3S/c31-21(14-15-34-25-27-20-9-5-4-8-19(20)22(32)28-25)26-18-12-10-17(11-13-18)24-30-29-23(33-24)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,26,31)(H,27,28,32)/t17-,18- | | Definition date: | 2013-09-19 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide |
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 | | 2C8 | | Name: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide | | Formula: | C25 H19 N5 O3 | | SMILES: | O=C1c5ccccc5N=C(N1)CCC(=O)Nc4ccc(c2nnc(o2)c3ccccc3)cc4 | | InChi: | InChI=1S/C25H19N5O3/c31-22(15-14-21-27-20-9-5-4-8-19(20)23(32)28-21)26-18-12-10-17(11-13-18)25-30-29-24(33-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,31)(H,27,28,32) | | Definition date: | 2013-09-19 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide |
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 | | 2D6 | | Name: | N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide | | Formula: | C24 H24 N4 O3 S | | SMILES: | N#Cc4ccc(OC3CCC(NC(=O)CCSC2=Nc1c(cccc1)C(=O)N2)CC3)cc4 | | InChi: | InChI=1S/C24H24N4O3S/c25-15-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(29)13-14-32-24-27-21-4-2-1-3-20(21)23(30)28-24/h1-6,9-10,17,19H,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19- | | Definition date: | 2013-09-23 | | Last modified: | 2013-12-20 | | Release date: | 2013-12-25 | | Identifier: | N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide |
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 | | Y1Z | | Name: | 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide | | Formula: | C26 H23 Cl N6 O3 S | | SMILES: | Clc1ccccc1S(=O)(=O)Nc5cc(c4nn2c(nnc2C)c3ccccc34)ccc5N6CCOCC6 | | InChi: | InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3 | | Definition date: | 2013-11-26 | | Last modified: | 2013-12-13 | | Release date: | 2013-12-18 | | Identifier: | 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide |
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 | | 12O | | Name: | (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | | Formula: | C26 H26 N2 O5 | | SMILES: | O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4=O | | InChi: | InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21-,22-/m1/s1 | | Definition date: | 2013-01-03 | | Last modified: | 2013-12-13 | | Release date: | 2013-12-18 | | Identifier: | (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid |
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 | | 2GQ | | Name: | 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one | | Formula: | C13 H14 N2 O | | SMILES: | O=C2c1ccccc1C=C(N2)N3CCCC3 | | InChi: | InChI=1S/C13H14N2O/c16-13-11-6-2-1-5-10(11)9-12(14-13)15-7-3-4-8-15/h1-2,5-6,9H,3-4,7-8H2,(H,14,16) | | Definition date: | 2013-10-16 | | Last modified: | 2013-12-13 | | Release date: | 2013-12-18 | | Identifier: | 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one |
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 | | 2LL | | Name: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole | | Formula: | C26 H30 N4 O2 | | SMILES: | O1CCN(CC1)CCn2c5c(nc2CCc3ccccc3)cc(c4c(onc4C)C)cc5 | | InChi: | InChI=1S/C26H30N4O2/c1-19-26(20(2)32-28-19)22-9-10-24-23(18-22)27-25(11-8-21-6-4-3-5-7-21)30(24)13-12-29-14-16-31-17-15-29/h3-7,9-10,18H,8,11-17H2,1-2H3 | | Definition date: | 2013-11-27 | | Last modified: | 2013-12-13 | | Release date: | 2013-12-18 | | Identifier: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole |
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 | | 2LO | | Name: | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole | | Formula: | C28 H33 Cl N4 O3 | | SMILES: | Clc1c(OC)ccc(c1)CCc4nc3cc(c2c(onc2C)C)ccc3n4CC(N5CCOCC5)C | | InChi: | InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1 | | Definition date: | 2013-11-27 | | Last modified: | 2013-12-13 | | Release date: | 2013-12-18 | | Identifier: | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole |
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 | | 2N9 | | Name: | ethyl 4-aminoquinoline-3-carboxylate | | Formula: | C12 H12 N2 O2 | | SMILES: | O=C(OCC)c1c(c2ccccc2nc1)N | | InChi: | InChI=1S/C12H12N2O2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3,(H2,13,14) | | Definition date: | 2013-12-10 | | Last modified: | 2013-12-13 | | Release date: | 2013-12-18 | | Identifier: | ethyl 4-aminoquinoline-3-carboxylate |
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 | | 2NB | | Name: | 3-nitroquinolin-4-amine | | Formula: | C9 H7 N3 O2 | | SMILES: | [O-][N+](=O)c1c(c2ccccc2nc1)N | | InChi: | InChI=1S/C9H7N3O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H,(H2,10,11) | | Definition date: | 2013-12-10 | | Last modified: | 2013-12-13 | | Release date: | 2013-12-18 | | Identifier: | 3-nitroquinolin-4-amine |
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 | | 2GU | | Name: | 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide | | Formula: | C26 H22 F N5 O2 | | SMILES: | Fc3ccc(c2cc1cnc(nc1cc2)N)cc3C(=O)Nc4ccc5c(c4)NC(=O)CC5(C)C | | InChi: | InChI=1S/C26H22FN5O2/c1-26(2)12-23(33)31-22-11-17(5-6-19(22)26)30-24(34)18-10-15(3-7-20(18)27)14-4-8-21-16(9-14)13-29-25(28)32-21/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,33)(H2,28,29,32) | | Definition date: | 2013-10-17 | | Last modified: | 2013-12-06 | | Release date: | 2013-12-11 | | Identifier: | 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide |
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 | | P98 | | Name: | 2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline | | Formula: | C26 H23 N3 O | | SMILES: | n4c3ccc(OCc1nc2c(cc1)cccc2)cc3n(c4C(C)C)c5ccccc5 | | InChi: | InChI=1S/C26H23N3O/c1-18(2)26-28-24-15-14-22(16-25(24)29(26)21-9-4-3-5-10-21)30-17-20-13-12-19-8-6-7-11-23(19)27-20/h3-16,18H,17H2,1-2H3 | | Definition date: | 2013-09-19 | | Last modified: | 2013-12-06 | | Release date: | 2013-12-11 | | Identifier: | 2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline |
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 | | 2F3 | | Name: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid | | Formula: | C25 H17 Cl F N3 O3 | | SMILES: | O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C | | InChi: | InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33) | | Definition date: | 2013-10-07 | | Last modified: | 2013-12-06 | | Release date: | 2013-12-11 | | Identifier: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid |
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 | | W9Z | | Name: | 6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline | | Formula: | C20 H17 N7 | | SMILES: | n1nc4ccc(nn4c1C(c3cc2cccnc2cc3)C)c5cn(nc5)C | | InChi: | InChI=1S/C20H17N7/c1-13(14-5-6-17-15(10-14)4-3-9-21-17)20-24-23-19-8-7-18(25-27(19)20)16-11-22-26(2)12-16/h3-13H,1-2H3/t13-/m0/s1 | | Definition date: | 2012-11-16 | | Last modified: | 2013-11-22 | | Release date: | 2013-11-27 | | Identifier: | 6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline |
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 | | 1K0 | | Name: | 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one | | Formula: | C20 H22 N2 O5 | | SMILES: | O=C2c3c(N=C(c1cc(c(OCCO)c(c1)C)C)N2)cc(OC)cc3OC | | InChi: | InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24) | | Definition date: | 2013-02-25 | | Last modified: | 2013-11-22 | | Release date: | 2013-11-27 | | Identifier: | 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one |
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 | | 1O6 | | Name: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid | | Formula: | C24 H29 N O4 | | SMILES: | O=C(N(c2ccc(Oc1ccccc1)cc2C(=O)O)C(C)C)C3CCC(C)CC3 | | InChi: | InChI=1S/C24H29NO4/c1-16(2)25(23(26)18-11-9-17(3)10-12-18)22-14-13-20(15-21(22)24(27)28)29-19-7-5-4-6-8-19/h4-8,13-18H,9-12H2,1-3H3,(H,27,28)/t17-,18- | | Definition date: | 2013-04-08 | | Last modified: | 2013-11-22 | | Release date: | 2013-11-27 | | Identifier: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid |
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 | | 21F | | Name: | N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide | | Formula: | C16 H23 Cl I N3 O4 S | | SMILES: | O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(I)c(Cl)cc2OC | | InChi: | InChI=1S/C16H23ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h8-9,11,19-20H,3-7,10H2,1-2H3 | | Definition date: | 2013-08-15 | | Last modified: | 2013-11-22 | | Release date: | 2013-11-27 | | Identifier: | N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide |
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 | | 2KD | | Name: | 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid | | Formula: | C27 H21 Cl N2 O6 | | SMILES: | O=C(OC)C(NC(=O)c1nc2ccc(cc2c(c1)C(=O)O)c3cccc(Cl)c3)Cc4ccc(O)cc4 | | InChi: | InChI=1S/C27H21ClN2O6/c1-36-27(35)24(11-15-5-8-19(31)9-6-15)30-25(32)23-14-21(26(33)34)20-13-17(7-10-22(20)29-23)16-3-2-4-18(28)12-16/h2-10,12-14,24,31H,11H2,1H3,(H,30,32)(H,33,34)/t24-/m0/s1 | | Definition date: | 2013-11-18 | | Last modified: | 2013-11-22 | | Release date: | 2013-11-27 | | Identifier: | 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid |
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 | | 1YY | | Name: | (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol | | Formula: | C23 H30 F3 N3 O4 S2 | | SMILES: | O=S(=O)(N2CC(N(c1ccc(cc1)C(O)(C)C(F)(F)F)CC2)CN3C(C)COCC3)c4sccc4 | | InChi: | InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1 | | Definition date: | 2013-08-09 | | Last modified: | 2013-11-15 | | Release date: | 2013-11-20 | | Identifier: | (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol |
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 | | Q1A | | Name: | 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea | | Formula: | C23 H23 N5 O2 | | SMILES: | O=C(Nc1noc(c1)C(C)(C)C)Nc4ccc(c3c2ccnc(N)c2ccc3)cc4 | | InChi: | InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29) | | Definition date: | 2013-11-08 | | Last modified: | 2013-11-15 | | Release date: | 2013-11-20 | | Identifier: | 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea |
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