 | | 6M8 | | Name: | 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine | | Formula: | C20 H23 N3 O | | SMILES: | CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 | | InChi: | InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22) | | Definition date: | 2015-08-20 | | Last modified: | 2015-10-23 | | Release date: | 2015-10-28 | | Identifier: | 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine |
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 | | 8VJ | | Name: | 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine | | Formula: | C19 H21 N3 O | | SMILES: | CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1 | | InChi: | InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21) | | Definition date: | 2015-08-20 | | Last modified: | 2015-10-23 | | Release date: | 2015-10-28 | | Identifier: | 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine |
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 | | XYW | | Name: | 2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide | | Formula: | C30 H26 F2 N6 O5 S3 | | SMILES: | C[S](=O)(=O)c1cccc(Nc2nccc(n2)c3sc(nc3c4cccc(N[S](=O)(=O)c5c(F)cccc5F)c4)N6CCOCC6)c1 | | InChi: | InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35) | | Definition date: | 2015-09-24 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | 2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide |
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 | | 5KH | | Name: | N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide | | Formula: | C25 H19 F3 N2 O3 | | SMILES: | c1cc(C(F)(F)F)cc(c1)C(N(c2cn(C(C)=O)c3c2cccc3)c4cc(ccc4C)O)=O | | InChi: | InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3 | | Definition date: | 2015-10-12 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide |
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 | | 4MG | | Name: | 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol | | Formula: | C23 H27 N7 O | | SMILES: | n1c(nc(cc1)n2nc(c(c2)CN3CC(O)C3)C)Nc5cc4c(c(n(c4cc5)C)C)C | | InChi: | InChI=1S/C23H27N7O/c1-14-16(3)28(4)21-6-5-18(9-20(14)21)25-23-24-8-7-22(26-23)30-11-17(15(2)27-30)10-29-12-19(31)13-29/h5-9,11,19,31H,10,12-13H2,1-4H3,(H,24,25,26) | | Definition date: | 2014-11-18 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol |
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 | | DGV | | Name: | 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide | | Formula: | C26 H33 Cl2 N3 O | | SMILES: | Clc1cccc(Cl)c1C2CCN(CC2)CCCNC(=O)C3CCCN3Cc4ccccc4 | | InChi: | InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1 | | Definition date: | 2015-09-11 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide |
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 | | 57Z | | Name: | 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea | | Formula: | C21 H23 N3 O3 S | | SMILES: | O=C2Nc1c(C)cc(cc1C=C2CN(CCO)C(=S)Nc3ccc(cc3)O)C | | InChi: | InChI=1S/C21H23N3O3S/c1-13-9-14(2)19-15(10-13)11-16(20(27)23-19)12-24(7-8-25)21(28)22-17-3-5-18(26)6-4-17/h3-6,9-11,25-26H,7-8,12H2,1-2H3,(H,22,28)(H,23,27) | | Definition date: | 2015-08-18 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea |
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 | | 5B8 | | Name: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate | | Formula: | C39 H56 N2 O8 | | SMILES: | C1CCCCC1C(C(N2C(CCCC2)C(=O)OC(CCc3cc(c(cc3)OC)OC)c4cc(ccc4)OCCN5CCOCC5)=O)C(C)O | | InChi: | InChI=1S/C39H56N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-28,30,33-34,37,42H,4-8,10-11,14-15,17,19-25H2,1-3H3/t28-,33+,34-,37-/m1/s1 | | Definition date: | 2015-09-01 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate |
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 | | 5JA | | Name: | (5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine | | Formula: | C29 H37 N9 O | | SMILES: | n1c4c6c(CC(c4cnc1Nc3ccn(CCN2CCN(CC2)CCOC)n3)C)nn(c6c5ccccc5)C | | InChi: | InChI=1S/C29H37N9O/c1-21-19-24-26(28(35(2)33-24)22-7-5-4-6-8-22)27-23(21)20-30-29(32-27)31-25-9-10-38(34-25)16-15-36-11-13-37(14-12-36)17-18-39-3/h4-10,20-21H,11-19H2,1-3H3,(H,30,31,32,34)/t21-/m1/s1 | | Definition date: | 2015-09-30 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | (5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine |
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 | | I6G | | Name: | 8-methoxy-2,3-dimethylquinoxalin-5-ol | | Formula: | C11 H12 N2 O2 | | SMILES: | n1c2c(O)ccc(OC)c2nc(c1C)C | | InChi: | InChI=1S/C11H12N2O2/c1-6-7(2)13-11-9(15-3)5-4-8(14)10(11)12-6/h4-5,14H,1-3H3 | | Definition date: | 2014-12-04 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | 8-methoxy-2,3-dimethylquinoxalin-5-ol |
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 | | JCF | | Name: | 8-hydroxy-2-methylquinoline-6-carboxamide | | Formula: | C11 H10 N2 O2 | | SMILES: | O=C(c1cc(O)c2nc(ccc2c1)C)N | | InChi: | InChI=1S/C11H10N2O2/c1-6-2-3-7-4-8(11(12)15)5-9(14)10(7)13-6/h2-5,14H,1H3,(H2,12,15) | | Definition date: | 2014-12-04 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | 8-hydroxy-2-methylquinoline-6-carboxamide |
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 | | QHC | | Name: | N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide | | Formula: | C18 H18 Cl F N2 O | | SMILES: | c1(cc(ccc1Cl)c2cncc3c2CCCC3NC(CC)=O)F | | InChi: | InChI=1S/C18H18ClFN2O/c1-2-18(23)22-17-5-3-4-12-13(9-21-10-14(12)17)11-6-7-15(19)16(20)8-11/h6-10,17H,2-5H2,1H3,(H,22,23)/t17-/m1/s1 | | Definition date: | 2015-04-24 | | Last modified: | 2015-10-02 | | Release date: | 2015-10-07 | | Identifier: | N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide |
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 | | 5BL | | Name: | 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid | | Formula: | C24 H16 N2 O2 | | SMILES: | c1cc(nc1)c2cc(c3c(c2)ccc(n3)C(=O)O)c5cccc4c5cccc4 | | InChi: | InChI=1S/C24H16N2O2/c27-24(28)22-11-10-16-13-17(21-9-4-12-25-21)14-20(23(16)26-22)19-8-3-6-15-5-1-2-7-18(15)19/h1-14,25H,(H,27,28) | | Definition date: | 2015-09-02 | | Last modified: | 2015-10-02 | | Release date: | 2015-10-07 | | Identifier: | 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid |
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 | | 4XU | | Name: | 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine | | Formula: | C23 H24 Cl N5 O S | | SMILES: | c3(c(c(Cl)nc(OCCCc2ccc1c(cccc1)n2)n3)C)NCc4c(C)nc(C)s4 | | InChi: | InChI=1S/C23H24ClN5OS/c1-14-21(24)28-23(29-22(14)25-13-20-15(2)26-16(3)31-20)30-12-6-8-18-11-10-17-7-4-5-9-19(17)27-18/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,25,28,29) | | Definition date: | 2015-06-18 | | Last modified: | 2015-10-02 | | Release date: | 2015-10-07 | | Identifier: | 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine |
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 | | 59Y | | Name: | 8-(naphthalen-1-yl)quinoline-2-carboxylic acid | | Formula: | C20 H13 N O2 | | SMILES: | c1(cccc2ccc(nc12)C(=O)O)c4c3c(cccc3)ccc4 | | InChi: | InChI=1S/C20H13NO2/c22-20(23)18-12-11-14-7-4-10-17(19(14)21-18)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H,(H,22,23) | | Definition date: | 2015-08-28 | | Last modified: | 2015-09-25 | | Release date: | 2015-09-30 | | Identifier: | 8-(naphthalen-1-yl)quinoline-2-carboxylic acid |
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 | | 4DJ | | Name: | 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol | | Formula: | C22 H22 N8 O | | SMILES: | Cn1c2c(cn1)cc(cc2)Nc3nccc(n3)N(CCCO)c4c5c(ccc4)nnc5 | | InChi: | InChI=1S/C22H22N8O/c1-29-19-7-6-16(12-15(19)13-25-29)26-22-23-9-8-21(27-22)30(10-3-11-31)20-5-2-4-18-17(20)14-24-28-18/h2,4-9,12-14,31H,3,10-11H2,1H3,(H,24,28)(H,23,26,27) | | Definition date: | 2015-03-04 | | Last modified: | 2015-09-25 | | Release date: | 2015-09-30 | | Identifier: | 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol |
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 | | M0A | | Name: | 1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine | | Formula: | C22 H25 N5 | | SMILES: | CCCCc1nc2c(N)nc3ccccc3c2n1Cc4cccc(CN)c4 | | InChi: | InChI=1S/C22H25N5/c1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23/h4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25) | | Definition date: | 2015-07-07 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine |
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 | | C1I | | Name: | CORTISTATIN A | | Formula: | C30 H36 N2 O3 | | SMILES: | OC5C4=CC7=CCC3(C(c2cc1cnccc1cc2)CCC3C76OC4(CC(N(C)C)C5O)CC6)C | | InChi: | InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1 | | Definition date: | 2014-02-27 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | (1R,2R,3S,5R,17alpha)-3-(dimethylamino)-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2-diol |
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 | | 4CV | | Name: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide | | Formula: | C17 H19 Br N6 O3 S | | SMILES: | c2(N1CCOCC1)ccc(S(NC)(=O)=O)cc2Nc4c3c(Br)cnc3ncn4 | | InChi: | InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23) | | Definition date: | 2015-02-28 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide |
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 | | 4UQ | | Name: | 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide | | Formula: | C33 H40 N6 O4 | | SMILES: | c1(ccc(cc1)Nc4nc(N2CC(CCC2)NC(c3ccc(cc3)C(C)(C)C)=O)ccc4C(N)=O)C(=O)N5CCOCC5 | | InChi: | InChI=1S/C33H40N6O4/c1-33(2,3)24-10-6-22(7-11-24)31(41)36-26-5-4-16-39(21-26)28-15-14-27(29(34)40)30(37-28)35-25-12-8-23(9-13-25)32(42)38-17-19-43-20-18-38/h6-15,26H,4-5,16-21H2,1-3H3,(H2,34,40)(H,35,37)(H,36,41)/t26-/m1/s1 | | Definition date: | 2015-06-01 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide |
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 | | IDQ | | Name: | 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine | | Formula: | C22 H25 N5 | | SMILES: | CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccc(CN)cc4 | | InChi: | InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25) | | Definition date: | 2015-07-07 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine |
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 | | OKO | | Name: | N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE | | Formula: | C24 H28 N6 O5 S | | SMILES: | COc1ncc(cc1N[S](C)(=O)=O)c2cc3[nH]ncc3c(c2)c4oc(CN5C[CH](C)O[CH](C)C5)cn4 | | InChi: | InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+ | | Definition date: | 2015-08-26 | | Last modified: | 2015-09-11 | | Release date: | 2015-09-16 | | Identifier: | N-[5-[4-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide |
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 | | 4K2 | | Name: | quinolin-8-yl piperidine-1-carboxylate | | Formula: | C15 H16 N2 O2 | | SMILES: | c2cc1cccnc1c(c2)OC(=O)N3CCCCC3 | | InChi: | InChI=1S/C15H16N2O2/c18-15(17-10-2-1-3-11-17)19-13-8-4-6-12-7-5-9-16-14(12)13/h4-9H,1-3,10-11H2 | | Definition date: | 2015-03-25 | | Last modified: | 2015-09-11 | | Release date: | 2015-09-16 | | Identifier: | quinolin-8-yl piperidine-1-carboxylate |
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 | | 53G | | Name: | N,N-dimethylquinoxaline-6-carboxamide | | Formula: | C11 H11 N3 O | | SMILES: | n1ccnc2ccc(cc12)C(=O)N(C)C | | InChi: | InChI=1S/C11H11N3O/c1-14(2)11(15)8-3-4-9-10(7-8)13-6-5-12-9/h3-7H,1-2H3 | | Definition date: | 2015-07-21 | | Last modified: | 2015-09-04 | | Release date: | 2015-09-09 | | Identifier: | N,N-dimethylquinoxaline-6-carboxamide |
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 | | 4JV | | Name: | 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine | | Formula: | C16 H16 N4 O | | SMILES: | c1cc(c2c(N)nc(N)nc2c1)OCc3ccc(cc3)C | | InChi: | InChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20) | | Definition date: | 2015-03-24 | | Last modified: | 2015-09-04 | | Release date: | 2015-09-09 | | Identifier: | 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine |
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