 | | EK5 | | Name: | 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide | | Formula: | C23 H19 Cl N4 O2 | | SMILES: | Clc1cccc(c1)c2cnnc2c3cc(nc3)C(=O)NCc5cc4c(OCC4)cc5 | | InChi: | InChI=1S/C23H19ClN4O2/c24-18-3-1-2-15(9-18)19-13-27-28-22(19)17-10-20(25-12-17)23(29)26-11-14-4-5-21-16(8-14)6-7-30-21/h1-5,8-10,12-13,25H,6-7,11H2,(H,26,29)(H,27,28) | | Definition date: | 2012-07-06 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide |
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 | | EK6 | | Name: | ethyl N-{2-chloro-4-[5-(5-{[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}glycinate | | Formula: | C27 H26 Cl2 F N5 O4 | | SMILES: | Fc1ccc(cc1Cl)C(NC(=O)c4cc(c3c(c2cc(Cl)c(cc2)CNCC(=O)OCC)cnn3)cn4)CO | | InChi: | InChI=1S/C27H26Cl2FN5O4/c1-2-39-25(37)13-31-10-17-4-3-15(7-20(17)28)19-12-33-35-26(19)18-9-23(32-11-18)27(38)34-24(14-36)16-5-6-22(30)21(29)8-16/h3-9,11-12,24,31-32,36H,2,10,13-14H2,1H3,(H,33,35)(H,34,38)/t24-/m1/s1 | | Definition date: | 2012-07-06 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | ethyl N-{2-chloro-4-[5-(5-{[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1H-pyrrol-3-yl)-1H-pyrazol-4-yl]benzyl}glycinate |
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 | | EK7 | | Name: | 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile | | Formula: | C19 H17 N5 O S | | SMILES: | N#Cc3sc(c2c1nc(ncc1CCc23)Nc4cccc(O)c4)N(C)C | | InChi: | InChI=1S/C19H17N5OS/c1-24(2)18-16-14(15(9-20)26-18)7-6-11-10-21-19(23-17(11)16)22-12-4-3-5-13(25)8-12/h3-5,8,10,25H,6-7H2,1-2H3,(H,21,22,23) | | Definition date: | 2012-07-06 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile |
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 | | EK9 | | Name: | N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide | | Formula: | C24 H22 N4 O2 | | SMILES: | O=C(c3cc(c1nc(ncc1C)c2ccccc2)cn3)NC(c4ccccc4)CO | | InChi: | InChI=1S/C24H22N4O2/c1-16-13-26-23(18-10-6-3-7-11-18)28-22(16)19-12-20(25-14-19)24(30)27-21(15-29)17-8-4-2-5-9-17/h2-14,21,25,29H,15H2,1H3,(H,27,30)/t21-/m1/s1 | | Definition date: | 2012-07-06 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide |
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 | | 09J | | Name: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide | | Formula: | C24 H21 Cl F N5 O2 | | SMILES: | O=C(NC1CC1)c5cc(C3=Cc2nnc(n2N(C3=O)CC)c4c(F)cccc4Cl)c(cc5)C | | InChi: | InChI=1S/C24H21ClFN5O2/c1-3-30-24(33)17(16-11-14(8-7-13(16)2)23(32)27-15-9-10-15)12-20-28-29-22(31(20)30)21-18(25)5-4-6-19(21)26/h4-8,11-12,15H,3,9-10H2,1-2H3,(H,27,32) | | Definition date: | 2011-11-02 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide |
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 | | D1Q | | Name: | 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid | | Formula: | C26 H27 Cl N4 O4 S | | SMILES: | Clc1ccc(cc1)NC(=O)CCc2ccc(C(=O)O)cc2NC(=O)c3nc4c(s3)CN(CC4)C(C)C | | InChi: | InChI=1S/C26H27ClN4O4S/c1-15(2)31-12-11-20-22(14-31)36-25(30-20)24(33)29-21-13-17(26(34)35)4-3-16(21)5-10-23(32)28-19-8-6-18(27)7-9-19/h3-4,6-9,13,15H,5,10-12,14H2,1-2H3,(H,28,32)(H,29,33)(H,34,35) | | Definition date: | 2011-09-27 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid |
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 | | D46 | | Name: | N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide | | Formula: | C20 H19 Cl N4 O2 S2 | | SMILES: | Clc1sc(cc1)C(=O)NCc2ccccc2NC(=O)c3nc4c(s3)CN(CC4)C | | InChi: | InChI=1S/C20H19ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27) | | Definition date: | 2011-09-28 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide |
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 | | AS7 | | Name: | N4-(4-cyanobenzyl)-L-asparagine | | Formula: | C12 H13 N3 O3 | | SMILES: | O=C(O)C(N)CC(=O)NCc1ccc(C#N)cc1 | | InChi: | InChI=1S/C12H13N3O3/c13-6-8-1-3-9(4-2-8)7-15-11(16)5-10(14)12(17)18/h1-4,10H,5,7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1 | | Definition date: | 2011-10-26 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | N-(4-cyanobenzyl)-L-asparagine |
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 | | F4H | | Name: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-mannitol | | Formula: | C11 H16 F N2 O8 P | | SMILES: | O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O | | InChi: | InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8-,9-/m1/s1 | | Definition date: | 2011-06-14 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-mannitol |
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 | | DU2 | | Name: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine | | Formula: | C20 H23 N5 O4 | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)c4nccn4C | | InChi: | InChI=1S/C20H23N5O4/c1-24-10-8-21-19(24)18(13-5-3-2-4-6-13)22-12-15-14(26)11-17(29-15)25-9-7-16(27)23-20(25)28/h2-10,14-15,17-18,22,26H,11-12H2,1H3,(H,23,27,28)/t14-,15+,17+,18?/m0/s1 | | Definition date: | 2011-11-10 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine |
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 | | DU3 | | Name: | 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine | | Formula: | C22 H23 N3 O4 | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C22H23N3O4/c26-17-13-20(25-12-11-19(27)24-22(25)28)29-18(17)14-23-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,20-21,23,26H,13-14H2,(H,24,27,28)/t17-,18+,20+/m0/s1 | | Definition date: | 2011-08-18 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine |
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 | | DU4 | | Name: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine | | Formula: | C23 H25 N3 O4 | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CN(C(c3ccccc3)c4ccccc4)C | | InChi: | InChI=1S/C23H25N3O4/c1-25(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)15-19-18(27)14-21(30-19)26-13-12-20(28)24-23(26)29/h2-13,18-19,21-22,27H,14-15H2,1H3,(H,24,28,29)/t18-,19+,21+/m0/s1 | | Definition date: | 2011-11-10 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine |
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 | | DUA | | Name: | 2',5'-dideoxy-5'-(tritylamino)uridine | | Formula: | C28 H27 N3 O4 | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)(c4ccccc4)c5ccccc5 | | InChi: | InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1 | | Definition date: | 2011-08-18 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 2',5'-dideoxy-5'-(tritylamino)uridine |
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 | | FPU | | Name: | 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea | | Formula: | C26 H24 N4 O4 | | SMILES: | O=C(Nc3ncc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)NC5CC5c4ccccc4 | | InChi: | InChI=1S/C26H24N4O4/c1-32-23-13-19-20(14-24(23)33-2)27-11-10-22(19)34-17-8-9-25(28-15-17)30-26(31)29-21-12-18(21)16-6-4-3-5-7-16/h3-11,13-15,18,21H,12H2,1-2H3,(H2,28,29,30,31)/t18-,21+/m0/s1 | | Definition date: | 2011-10-05 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea |
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 | | FPX | | Name: | N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide | | Formula: | C29 H22 F3 N5 O2 | | SMILES: | FC(F)(F)c1cccc(c1)C(=O)Nc5cc(C4=Cc2c(nc(nc2)Nc3ccccc3)N(C4=O)C)c(cc5)C | | InChi: | InChI=1S/C29H22F3N5O2/c1-17-11-12-22(34-26(38)18-7-6-8-20(13-18)29(30,31)32)15-23(17)24-14-19-16-33-28(35-21-9-4-3-5-10-21)36-25(19)37(2)27(24)39/h3-16H,1-2H3,(H,34,38)(H,33,35,36) | | Definition date: | 2011-10-05 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide |
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 | | 2LA | | Name: | 2-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C12 H18 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2c1N=C(N)NC(=O)c1c(c2)CN)CC3O | | InChi: | InChI=1S/C12H18N5O7P/c13-2-5-3-17(10-9(5)11(19)16-12(14)15-10)8-1-6(18)7(24-8)4-23-25(20,21)22/h3,6-8,18H,1-2,4,13H2,(H2,20,21,22)(H3,14,15,16,19)/t6-,7+,8+/m0/s1 | | Definition date: | 2011-09-07 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | 2-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | J35 | | Name: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid | | Formula: | C22 H24 F3 N O4 | | SMILES: | FC(F)(F)c1ccc(cc1)C(=O)NCc2cc(ccc2OC)CC(C(=O)O)CCC | | InChi: | InChI=1S/C22H24F3NO4/c1-3-4-16(21(28)29)11-14-5-10-19(30-2)17(12-14)13-26-20(27)15-6-8-18(9-7-15)22(23,24)25/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,26,27)(H,28,29)/t16-/m0/s1 | | Definition date: | 2012-07-24 | | Last modified: | 2012-08-24 | | Release date: | 2012-08-24 | | Identifier: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid |
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 | | 0O7 | | Name: | 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide | | Formula: | C18 H17 N3 O2 S | | SMILES: | O=S2(=O)c1cnnc1c4c(N2C)ccc(c3ccc(cc3)CC)c4 | | InChi: | InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) | | Definition date: | 2012-03-29 | | Last modified: | 2012-08-17 | | Identifier: | 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide |
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 | | 0S0 | | Name: | 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide | | Formula: | C11 H10 N4 O4 S | | SMILES: | O=C2C(/N=N/c1ccc(cc1)S(=O)(=O)N)=CC=C(O)N2 | | InChi: | InChI=1S/C11H10N4O4S/c12-20(18,19)8-3-1-7(2-4-8)14-15-9-5-6-10(16)13-11(9)17/h1-6H,(H2,12,18,19)(H2,13,16,17)/b15-14+ | | Definition date: | 2012-05-14 | | Last modified: | 2012-08-17 | | Identifier: | 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide |
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 | | LNH | | Name: | 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid | | Formula: | C23 H21 N7 O3 | | SMILES: | O=C(O)CCn5c1ccc(NC(=O)C)cc1c(c2nc4c(C#N)cnn4c(c2)NC3CC3)c5 | | InChi: | InChI=1S/C23H21N7O3/c1-13(31)26-16-4-5-20-17(8-16)18(12-29(20)7-6-22(32)33)19-9-21(27-15-2-3-15)30-23(28-19)14(10-24)11-25-30/h4-5,8-9,11-12,15,27H,2-3,6-7H2,1H3,(H,26,31)(H,32,33) | | Definition date: | 2011-10-12 | | Last modified: | 2012-08-17 | | Identifier: | 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid |
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 | | 9UP | | Name: | methyl (7-carbamimidoylnaphthalen-1-yl)carbamate | | Formula: | C13 H13 N3 O2 | | SMILES: | O=C(OC)Nc2cccc1ccc(cc12)C(=[N@H])N | | InChi: | InChI=1S/C13H13N3O2/c1-18-13(17)16-11-4-2-3-8-5-6-9(12(14)15)7-10(8)11/h2-7H,1H3,(H3,14,15)(H,16,17) | | Definition date: | 2012-07-01 | | Last modified: | 2012-08-17 | | Identifier: | methyl (7-carbamimidoylnaphthalen-1-yl)carbamate |
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 | | 2UP | | Name: | naphthalene-2-carboximidamide | | Formula: | C11 H10 N2 | | SMILES: | [N@H]=C(N)c2ccc1c(cccc1)c2 | | InChi: | InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13) | | Definition date: | 2012-07-13 | | Last modified: | 2012-08-17 | | Identifier: | naphthalene-2-carboximidamide |
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 | | 1U2 | | Name: | 6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide | | Formula: | C18 H16 N4 O | | SMILES: | O=C(Nc1ccccc1)Nc3cc2ccc(C(=[N@H])N)cc2cc3 | | InChi: | InChI=1S/C18H16N4O/c19-17(20)14-7-6-13-11-16(9-8-12(13)10-14)22-18(23)21-15-4-2-1-3-5-15/h1-11H,(H3,19,20)(H2,21,22,23) | | Definition date: | 2012-07-01 | | Last modified: | 2012-08-17 | | Identifier: | 6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide |
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 | | 1U9 | | Name: | 6-{(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide | | Formula: | C21 H20 N2 O | | SMILES: | OCCc1cccc(c1)C=Cc3cc2ccc(C(=[N@H])N)cc2cc3 | | InChi: | InChI=1S/C21H20N2O/c22-21(23)20-9-8-18-13-17(6-7-19(18)14-20)5-4-15-2-1-3-16(12-15)10-11-24/h1-9,12-14,24H,10-11H2,(H3,22,23)/b5-4+ | | Definition date: | 2012-07-01 | | Last modified: | 2012-08-17 | | Identifier: | 6-{(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide |
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 | | 1UP | | Name: | 2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide | | Formula: | C14 H15 N3 O3 | | SMILES: | O=C(N)COc1c2c(ccc1OC)ccc(c2)C(=[N@H])N | | InChi: | InChI=1S/C14H15N3O3/c1-19-11-5-4-8-2-3-9(14(16)17)6-10(8)13(11)20-7-12(15)18/h2-6H,7H2,1H3,(H2,15,18)(H3,16,17) | | Definition date: | 2012-07-13 | | Last modified: | 2012-08-17 | | Identifier: | 2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide |
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