| S0F | Name: | 5-(4-bromobenzyl)-1,3-thiazol-2-amine | Formula: | C10 H9 Br N2 S | SMILES: | Brc1ccc(cc1)Cc2sc(nc2)N | InChi: | InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13) | Definition date: | 2013-11-06 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 5-(4-bromobenzyl)-1,3-thiazol-2-amine |
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| S0G | Name: | 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione | Formula: | C10 H16 N4 O2 | SMILES: | O=C1C(=C(N)N(C(=O)N1)C)N2CCCCC2 | InChi: | InChI=1S/C10H16N4O2/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14/h2-6,11H2,1H3,(H,12,15,16) | Definition date: | 2013-11-06 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione |
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| S0I | Name: | 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one | Formula: | C15 H14 N2 O | SMILES: | O=C2Nc1c(cccc1)N(C2)Cc3ccccc3 | InChi: | InChI=1S/C15H14N2O/c18-15-11-17(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h1-9H,10-11H2,(H,16,18) | Definition date: | 2013-11-07 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one |
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| S0J | Name: | 4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine | Formula: | C14 H19 N3 O S | SMILES: | n3c(c1c(n(c(c1)C)CC2OCCC2)C)csc3N | InChi: | InChI=1S/C14H19N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16)/t11-/m1/s1 | Definition date: | 2013-11-07 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine |
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| S0K | Name: | N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide | Formula: | C15 H16 N2 O2 S | SMILES: | O=C(Nc1ccccc1N2CCOCC2)c3ccsc3 | InChi: | InChI=1S/C15H16N2O2S/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17/h1-5,10-11H,6-9H2,(H,16,18) | Definition date: | 2013-11-07 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide |
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| SVN | Name: | thieno[2,3-b]pyrazin-7-amine | Formula: | C6 H5 N3 S | SMILES: | n1c2scc(c2ncc1)N | InChi: | InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2 | Definition date: | 2014-01-08 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | thieno[2,3-b]pyrazin-7-amine |
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| SXS | Name: | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide | Formula: | C7 H6 N2 O3 S | SMILES: | O=C2c1ccc(cc1S(=O)(=O)N2)N | InChi: | InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10) | Definition date: | 2014-02-10 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide |
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| VT4 | Name: | 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one | Formula: | C19 H25 N O2 | SMILES: | O=C2C=C(N(C=C2Oc1ccccc1C)C)CCCCCC | InChi: | InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3 | Definition date: | 2014-03-22 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one |
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| 52N | Name: | 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate | Formula: | C25 H49 O19 P3 | SMILES: | O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC | InChi: | InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20+,21-,22+,23-,24-,25+/m1/s1 | Definition date: | 2014-01-16 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | (2R)-3-{[(S)-hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate |
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| 3A9 | Name: | 2,3-dihydro-1-benzofuran-5-carboxylic acid | Formula: | C9 H8 O3 | SMILES: | O=C(O)c2cc1c(OCC1)cc2 | InChi: | InChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11) | Definition date: | 2014-03-20 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 2,3-dihydro-1-benzofuran-5-carboxylic acid |
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| NDJ | Name: | (2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide | Formula: | C11 H22 N2 O4 S | SMILES: | S=C(NCCCC)N1C(C(O)C(O)C(O)C1)CO | InChi: | InChI=1S/C11H22N2O4S/c1-2-3-4-12-11(18)13-5-8(15)10(17)9(16)7(13)6-14/h7-10,14-17H,2-6H2,1H3,(H,12,18)/t7-,8+,9+,10-/m1/s1 | Definition date: | 2013-07-26 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | (2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide |
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| 6DJ | Name: | (3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol | Formula: | C11 H20 N2 O3 S | SMILES: | N(=C1SCC2N1CC(O)C(O)C2O)CCCC | InChi: | InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1 | Definition date: | 2013-07-26 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | (3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol |
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| AUB | Name: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid | Formula: | C24 H32 N2 O4 | SMILES: | O=C(O)c5ccc(OC4CCC(NC(=O)NC13CC2CC(C1)CC(C2)C3)CC4)cc5 | InChi: | InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15-,16+,17-,19-,21-,24- | Definition date: | 2013-11-07 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid |
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| 2C9 | Name: | 3-methylbenzene-1,2-diamine | Formula: | C7 H10 N2 | SMILES: | Nc1c(cccc1N)C | InChi: | InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3 | Definition date: | 2013-09-20 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 3-methylbenzene-1,2-diamine |
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| 2CK | Name: | 1,2,3,4-tetrahydroisoquinoline | Formula: | C9 H11 N | SMILES: | c1ccc2c(c1)CNCC2 | InChi: | InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 | Definition date: | 2013-09-20 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 1,2,3,4-tetrahydroisoquinoline |
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| 2GD | Name: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine | Formula: | C11 H10 Cl2 N4 | SMILES: | Clc2c(Cl)c(c1nc(nc(c1)NC)N)ccc2 | InChi: | InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17) | Definition date: | 2013-10-12 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine |
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| 2GE | Name: | N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine | Formula: | C13 H12 Cl2 N4 | SMILES: | Clc3c(Cl)c(c1nc(nc(c1)NC2CC2)N)ccc3 | InChi: | InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | Definition date: | 2013-10-15 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine |
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| 2H1 | Name: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C25 H24 N6 O | SMILES: | n1c(c2c(nc1)n(nc2c5cc4ccc(OCc3ccccc3)nc4c(c5)C)C(C)C)N | InChi: | InChI=1S/C25H24N6O/c1-15(2)31-25-21(24(26)27-14-28-25)23(30-31)19-11-16(3)22-18(12-19)9-10-20(29-22)32-13-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,26,27,28) | Definition date: | 2013-10-18 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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| 2HD | Name: | (2R)-2,3-dibutoxypropyl (R)-octylphosphinate | Formula: | C19 H41 O4 P | SMILES: | O=P(OCC(OCCCC)COCCCC)CCCCCCCC | InChi: | InChI=1S/C19H41O4P/c1-4-7-10-11-12-13-16-24(20)23-18-19(22-15-9-6-3)17-21-14-8-5-2/h19,24H,4-18H2,1-3H3/t19-/m1/s1 | Definition date: | 2013-10-21 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | (2R)-2,3-dibutoxypropyl (R)-octylphosphinate |
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| 2L1 | Name: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline | Formula: | C14 H17 N3 | SMILES: | n1c(c(nc1)CN3Cc2c(cccc2)CC3)C | InChi: | InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16) | Definition date: | 2013-11-25 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline |
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| 2L2 | Name: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C14 H18 N4 | SMILES: | n1c(c(nc1)CN3Cc2c(cccc2N)CC3)C | InChi: | InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17) | Definition date: | 2013-11-25 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
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| 24W | Name: | 1,2,3,4-tetrahydroisoquinolin-5-amine | Formula: | C9 H12 N2 | SMILES: | c12cccc(c1CCNC2)N | InChi: | InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2 | Definition date: | 2013-09-20 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 1,2,3,4-tetrahydroisoquinolin-5-amine |
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| SFF | Name: | (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide | Formula: | C13 H22 N2 O3 S | SMILES: | O=S2(=O)N=C(OC1C2CCCC1)NC3CCCCC3 | InChi: | InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1 | Definition date: | 2013-04-27 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide |
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| W83 | Name: | 5-{2-[7-(methoxymethoxy)naphthalen-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)CCc3cc2cc(OCOC)ccc2cc3 | InChi: | InChI=1S/C19H18N2O6/c1-26-10-27-14-6-5-12-4-2-11(8-13(12)9-14)3-7-15-16(18(23)24)20-19(25)21-17(15)22/h2,4-6,8-9H,3,7,10H2,1H3,(H,23,24)(H2,20,21,22,25) | Definition date: | 2013-03-18 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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| W87 | Name: | 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | Formula: | C21 H20 N2 O6 | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCCCc3cc2cccc(C(=O)OC)c2cc3 | InChi: | InChI=1S/C21H20N2O6/c1-29-20(27)15-8-4-6-13-11-12(9-10-14(13)15)5-2-3-7-16-17(19(25)26)22-21(28)23-18(16)24/h4,6,8-11H,2-3,5,7H2,1H3,(H,25,26)(H2,22,23,24,28) | Definition date: | 2013-03-18 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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