 | | W7G | | Name: | 5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C14 H14 N2 O5 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2OC | | InChi: | InChI=1S/C14H14N2O5/c1-21-10-5-3-2-4-8(10)6-7-9-11(13(18)19)15-14(20)16-12(9)17/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20) | | Definition date: | 2013-03-12 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7H | | Name: | 5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C17 H14 N2 O4 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3 | | InChi: | InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,6,8H2,(H,21,22)(H2,18,19,20,23) | | Definition date: | 2013-03-12 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7I | | Name: | 5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C18 H16 N2 O5 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OC | | InChi: | InChI=1S/C18H16N2O5/c1-25-14-9-11-5-3-2-4-10(11)8-12(14)6-7-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H2,19,20,21,24) | | Definition date: | 2013-03-12 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7J | | Name: | 5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C18 H14 N2 O6 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)O)cc2cc3 | | InChi: | InChI=1S/C18H14N2O6/c21-15-13(14(17(24)25)19-18(26)20-15)6-2-9-1-3-11-8-12(16(22)23)5-4-10(11)7-9/h1,3-5,7-8H,2,6H2,(H,22,23)(H,24,25)(H2,19,20,21,26) | | Definition date: | 2013-03-12 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7K | | Name: | 5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C19 H18 N2 O6 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(OC)cc2cc3OC | | InChi: | InChI=1S/C19H18N2O6/c1-26-13-5-3-10-7-11(15(27-2)9-12(10)8-13)4-6-14-16(18(23)24)20-19(25)21-17(14)22/h3,5,7-9H,4,6H2,1-2H3,(H,23,24)(H2,20,21,22,25) | | Definition date: | 2013-03-13 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7L | | Name: | 5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C18 H16 N2 O5 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3c2ccc(OC)cc2ccc3 | | InChi: | InChI=1S/C18H16N2O5/c1-25-12-6-8-13-10(3-2-4-11(13)9-12)5-7-14-15(17(22)23)19-18(24)20-16(14)21/h2-4,6,8-9H,5,7H2,1H3,(H,22,23)(H2,19,20,21,24) | | Definition date: | 2013-03-12 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7M | | Name: | 5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C19 H16 N2 O6 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)OC)cc2cc3 | | InChi: | InChI=1S/C19H16N2O6/c1-27-18(25)13-6-5-11-8-10(2-4-12(11)9-13)3-7-14-15(17(23)24)20-19(26)21-16(14)22/h2,4-6,8-9H,3,7H2,1H3,(H,23,24)(H2,20,21,22,26) | | Definition date: | 2013-03-13 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7N | | Name: | 5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C20 H19 N3 O6 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)NCCO)cc2cc3 | | InChi: | InChI=1S/C20H19N3O6/c24-8-7-21-17(25)14-5-4-12-9-11(1-3-13(12)10-14)2-6-15-16(19(27)28)22-20(29)23-18(15)26/h1,3-5,9-10,24H,2,6-8H2,(H,21,25)(H,27,28)(H2,22,23,26,29) | | Definition date: | 2013-03-13 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7O | | Name: | 5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C14 H12 N2 O6 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(C(=O)O)c2 | | InChi: | InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)5-4-7-2-1-3-8(6-7)12(18)19/h1-3,6H,4-5H2,(H,18,19)(H,20,21)(H2,15,16,17,22) | | Definition date: | 2013-03-13 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7P | | Name: | 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C14 H12 N2 O6 | | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(C(=O)O)cc2 | | InChi: | InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)6-3-7-1-4-8(5-2-7)12(18)19/h1-2,4-5H,3,6H2,(H,18,19)(H,20,21)(H2,15,16,17,22) | | Definition date: | 2013-03-13 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | W7Q | | Name: | 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C20 H23 N3 O6 | | SMILES: | O=C(O)C=1NC(=O)NC(=O)C=1CCc2cc3c(cc2)N(C(=O)OC(C)(C)C)CC3 | | InChi: | InChI=1S/C20H23N3O6/c1-20(2,3)29-19(28)23-9-8-12-10-11(5-7-14(12)23)4-6-13-15(17(25)26)21-18(27)22-16(13)24/h5,7,10H,4,6,8-9H2,1-3H3,(H,25,26)(H2,21,22,24,27) | | Definition date: | 2013-03-13 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | SH3 | | Name: | N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Formula: | C18 H27 N2 O9 P | | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCc1ccc2OCOc2c1 | | InChi: | InChI=1S/C18H27N2O9P/c1-18(2,10-29-30(24,25)26)16(22)17(23)20-8-6-15(21)19-7-5-12-3-4-13-14(9-12)28-11-27-13/h3-4,9,16,22H,5-8,10-11H2,1-2H3,(H,19,21)(H,20,23)(H2,24,25,26)/t16-/m0/s1 | | Definition date: | 2013-11-14 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
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 | | RR2 | | Name: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium | | Formula: | C84 H50 N16 Ru2 | | SMILES: | n2c%14cc(ccc%14nc3c%13c%12c1n(cccc1c23)[Ru]%117(n6cccc5ccc4cccn7c4c56)(n9c8c%10c(ccc8ccc9)cccn%10%11)n%12ccc%13)c%16ccc%15nc%17c%20c%19c%18c(c%17nc%15c%16)cccn%18[Ru]%24%28(n%19ccc%20)(n%22c%21c%23c(ccc%21ccc%22)cccn%23%24)n%26cccc%25ccc%27c(c%25%26)n%28ccc%27 | | InChi: | InChI=1S/C36H18N8.4C12H8N2.2Ru/c1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30 | | Definition date: | 2012-10-05 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium |
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 | | 2SE | | Name: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide | | Formula: | C25 H35 N3 O4 S | | SMILES: | O=S(=O)(N)c4ccc(OCCCN1CCC(CC1)C(O)(c2ncccc2)C3CCCC3)cc4 | | InChi: | InChI=1S/C25H35N3O4S/c26-33(30,31)23-11-9-22(10-12-23)32-19-5-16-28-17-13-21(14-18-28)25(29,20-6-1-2-7-20)24-8-3-4-15-27-24/h3-4,8-12,15,20-21,29H,1-2,5-7,13-14,16-19H2,(H2,26,30,31)/t25-/m0/s1 | | Definition date: | 2014-01-16 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide |
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 | | 2SF | | Name: | 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile | | Formula: | C27 H35 N3 O | | SMILES: | N#Cc4ccc(OCCCN1CCC(CC1)C(c2ccccc2)(N)C3CCCC3)cc4 | | InChi: | InChI=1S/C27H35N3O/c28-21-22-11-13-26(14-12-22)31-20-6-17-30-18-15-25(16-19-30)27(29,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25H,4-6,9-10,15-20,29H2/t27-/m1/s1 | | Definition date: | 2014-01-16 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile |
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 | | 2SX | | Name: | (5-bromo-1H-indol-3-yl)acetic acid | | Formula: | C10 H8 Br N O2 | | SMILES: | O=C(O)Cc2c1cc(Br)ccc1nc2 | | InChi: | InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14) | | Definition date: | 2014-01-27 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (5-bromo-1H-indol-3-yl)acetic acid |
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 | | 2SY | | Name: | [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid | | Formula: | C17 H14 Cl N O2 | | SMILES: | O=C(O)Cc2c1ccccc1n(c2)Cc3cccc(Cl)c3 | | InChi: | InChI=1S/C17H14ClNO2/c18-14-5-3-4-12(8-14)10-19-11-13(9-17(20)21)15-6-1-2-7-16(15)19/h1-8,11H,9-10H2,(H,20,21) | | Definition date: | 2014-01-27 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid |
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 | | 2T2 | | Name: | [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid | | Formula: | C19 H15 N O2 | | SMILES: | O=C(O)Cc2c1ccccc1n(c2)Cc3cccc(C#C)c3 | | InChi: | InChI=1S/C19H15NO2/c1-2-14-6-5-7-15(10-14)12-20-13-16(11-19(21)22)17-8-3-4-9-18(17)20/h1,3-10,13H,11-12H2,(H,21,22) | | Definition date: | 2014-01-27 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid |
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 | | 2T7 | | Name: | [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid | | Formula: | C18 H16 N2 O5 | | SMILES: | [O-][N+](=O)c1cc(c(OC)cc1)Cn3c2ccccc2c(c3)CC(=O)O | | InChi: | InChI=1S/C18H16N2O5/c1-25-17-7-6-14(20(23)24)8-13(17)11-19-10-12(9-18(21)22)15-4-2-3-5-16(15)19/h2-8,10H,9,11H2,1H3,(H,21,22) | | Definition date: | 2014-01-27 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid |
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 | | 2T9 | | Name: | [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid | | Formula: | C24 H22 N4 O5 | | SMILES: | [O-][N+](=O)c1cc(c(OC)cc1)Cn3c2cc(ccc2c(c3)CC(=O)O)c4cc(N)cc(N)c4 | | InChi: | InChI=1S/C24H22N4O5/c1-33-23-5-3-20(28(31)32)8-17(23)13-27-12-16(10-24(29)30)21-4-2-14(9-22(21)27)15-6-18(25)11-19(26)7-15/h2-9,11-12H,10,13,25-26H2,1H3,(H,29,30) | | Definition date: | 2014-01-27 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid |
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 | | 2VD | | Name: | (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C24 H23 Br N2 O5 | | SMILES: | O=C(O)C(NC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3)Cc4ccccc4 | | InChi: | InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19-/m1/s1 | | Definition date: | 2014-02-24 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | 2VE | | Name: | (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C17 H17 Br N2 O5 | | SMILES: | O=C(O)CNC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3 | | InChi: | InChI=1S/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/m1/s1 | | Definition date: | 2014-02-24 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | 2VF | | Name: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C15 H15 Cl N2 O3 | | SMILES: | O=C(O)C3CCc2c1c(ccc(Cl)c1)n(c2C3)CC(=O)N | | InChi: | InChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1 | | Definition date: | 2014-02-24 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | 2VG | | Name: | (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Formula: | C13 H12 Cl N O2 | | SMILES: | O=C(O)C3CCc2c1c(ccc(Cl)c1)nc2C3 | | InChi: | InChI=1S/C13H12ClNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/m1/s1 | | Definition date: | 2014-02-24 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid |
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 | | 2VK | | Name: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile | | Formula: | C27 H34 N2 O2 | | SMILES: | N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ccccc2)C3CCCC3)cc4 | | InChi: | InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m0/s1 | | Definition date: | 2014-02-25 | | Last modified: | 2014-02-28 | | Release date: | 2014-03-05 | | Identifier: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile |
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