 | | CHJ | | Name: | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one | | Formula: | C16 H11 Cl O4 | | SMILES: | Clc3ccc(Oc2ccc1c(OC(=O)C=C1C)c2)c(O)c3 | | InChi: | InChI=1S/C16H11ClO4/c1-9-6-16(19)21-15-8-11(3-4-12(9)15)20-14-5-2-10(17)7-13(14)18/h2-8,18H,1H3 | | Definition date: | 2012-12-27 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one |
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 | | CHV | | Name: | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one | | Formula: | C15 H9 Cl O5 | | SMILES: | Clc3ccc(OC1=Cc2c(OC1=O)cc(O)cc2)c(O)c3 | | InChi: | InChI=1S/C15H9ClO5/c16-9-2-4-12(11(18)6-9)20-14-5-8-1-3-10(17)7-13(8)21-15(14)19/h1-7,17-18H | | Definition date: | 2012-12-27 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one |
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 | | 6MD | | Name: | N-methyladenosine | | Formula: | C11 H15 N5 O4 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC | | InChi: | InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2013-07-17 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N-methyladenosine |
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 | | 29T | | Name: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile | | Formula: | C21 H16 N4 O4 | | SMILES: | N#Cc4cc3n(cccc3Oc2ccccc2OCCN1C=CC(=O)NC1=O)c4 | | InChi: | InChI=1S/C21H16N4O4/c22-13-15-12-16-17(6-3-8-25(16)14-15)29-19-5-2-1-4-18(19)28-11-10-24-9-7-20(26)23-21(24)27/h1-9,12,14H,10-11H2,(H,23,26,27) | | Definition date: | 2013-09-13 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile |
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 | | 2BK | | Name: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-allothreonine | | Formula: | C12 H19 N2 O8 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C | | InChi: | InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10-/m0/s1 | | Definition date: | 2013-09-18 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-allothreonine |
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 | | 2BO | | Name: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine | | Formula: | C12 H19 N2 O8 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C | | InChi: | InChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10+/m1/s1 | | Definition date: | 2013-09-18 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine |
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 | | 2C1 | | Name: | N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | | Formula: | C16 H20 Br N5 O5 S2 | | SMILES: | O=S(=O)(c1sc(c(c1)C)CCOC)NC(=O)Nc2nc(NC(=O)NC)cc(Br)c2 | | InChi: | InChI=1S/C16H20BrN5O5S2/c1-9-6-14(28-11(9)4-5-27-3)29(25,26)22-16(24)21-13-8-10(17)7-12(19-13)20-15(23)18-2/h6-8H,4-5H2,1-3H3,(H4,18,19,20,21,22,23,24) | | Definition date: | 2013-09-19 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide |
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 | | E1E | | Name: | 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | | Formula: | C14 H14 Cl N3 O3 S2 | | SMILES: | O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2Cl | | InChi: | InChI=1S/C14H14ClN3O3S2/c1-8-5-9(2)18-14(17-8)22-7-12(19)10-3-4-13(11(15)6-10)23(16,20)21/h3-6H,7H2,1-2H3,(H2,16,20,21) | | Definition date: | 2013-05-23 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide |
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 | | E1F | | Name: | 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | | Formula: | C12 H10 Cl N3 O3 S2 | | SMILES: | O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2Cl | | InChi: | InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19) | | Definition date: | 2013-05-27 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide |
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 | | E1G | | Name: | 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | | Formula: | C12 H11 N3 O3 S2 | | SMILES: | O=S(=O)(N)c2cccc(C(=O)CSc1ncccn1)c2 | | InChi: | InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18) | | Definition date: | 2013-05-28 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide |
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 | | 2HO | | Name: | 3,4-difluorobenzamide | | Formula: | C7 H5 F2 N O | | SMILES: | Fc1ccc(C(=O)N)cc1F | | InChi: | InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11) | | Definition date: | 2013-10-22 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 3,4-difluorobenzamide |
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 | | 2HQ | | Name: | 5-chloro-1H-indole-2,3-dione | | Formula: | C8 H4 Cl N O2 | | SMILES: | Clc1cc2c(cc1)NC(=O)C2=O | | InChi: | InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) | | Definition date: | 2013-10-22 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 5-chloro-1H-indole-2,3-dione |
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 | | 2HU | | Name: | 5-nitro-1H-indole | | Formula: | C8 H6 N2 O2 | | SMILES: | [O-][N+](=O)c1cc2c(cc1)ncc2 | | InChi: | InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H | | Definition date: | 2013-10-22 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 5-nitro-1H-indole |
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 | | 2HV | | Name: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide | | Formula: | C17 H20 N4 O2 S | | SMILES: | O=C(Nc3nc(C(=O)Nc2ccccc2N1CCCCC1)cs3)C | | InChi: | InChI=1S/C17H20N4O2S/c1-12(22)18-17-20-14(11-24-17)16(23)19-13-7-3-4-8-15(13)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,23)(H,18,20,22) | | Definition date: | 2013-10-23 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide |
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 | | 2HW | | Name: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide | | Formula: | C15 H19 N7 O | | SMILES: | O=C(c1nccnc1N)Nc2cnccc2N3CCCC(N)C3 | | InChi: | InChI=1S/C15H19N7O/c16-10-2-1-7-22(9-10)12-3-4-18-8-11(12)21-15(23)13-14(17)20-6-5-19-13/h3-6,8,10H,1-2,7,9,16H2,(H2,17,20)(H,21,23)/t10-/m0/s1 | | Definition date: | 2013-10-23 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide |
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 | | 2HX | | Name: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide | | Formula: | C23 H22 F3 N5 O2 | | SMILES: | Fc1cccc(F)c1c2nc(ccc2F)C(=O)Nc3cnccc3N4CC(C(O)C(N)C4)C | | InChi: | InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1 | | Definition date: | 2013-10-23 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide |
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 | | 2J1 | | Name: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid | | Formula: | C13 H12 Cl N O2 | | SMILES: | O=C(O)c1c(Cl)cc2c(c1)nc3c2CCCC3 | | InChi: | InChI=1S/C13H12ClNO2/c14-10-5-8-7-3-1-2-4-11(7)15-12(8)6-9(10)13(16)17/h5-6,15H,1-4H2,(H,16,17) | | Definition date: | 2013-10-24 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid |
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 | | 2J2 | | Name: | (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid | | Formula: | C13 H12 Cl N O2 | | SMILES: | O=C(O)C3c2c(c1c(ccc(Cl)c1)n2)CCC3 | | InChi: | InChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)/t9-/m1/s1 | | Definition date: | 2013-10-24 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid |
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 | | 2JC | | Name: | N-ethylglycine | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)CNCC | | InChi: | InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7) | | Definition date: | 2013-10-28 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N-ethylglycine |
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 | | HPU | | Name: | N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide | | Formula: | C18 H16 N2 O4 S | | SMILES: | O=C3C=C(c1ccccc1)C=C(c2cccc(NS(=O)(=O)C)c2)N3O | | InChi: | InChI=1S/C18H16N2O4S/c1-25(23,24)19-16-9-5-8-14(10-16)17-11-15(12-18(21)20(17)22)13-6-3-2-4-7-13/h2-12,19,22H,1H3 | | Definition date: | 2012-11-14 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide |
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 | | HPW | | Name: | N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide | | Formula: | C19 H19 N3 O6 S2 | | SMILES: | O=C3C=C(c1ccccc1)C=C(c2cc(NS(=O)(=O)C)cc(NS(=O)(=O)C)c2)N3O | | InChi: | InChI=1S/C19H19N3O6S2/c1-29(25,26)20-16-8-15(9-17(12-16)21-30(2,27)28)18-10-14(11-19(23)22(18)24)13-6-4-3-5-7-13/h3-12,20-21,24H,1-2H3 | | Definition date: | 2012-11-14 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | N,N'-[5-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)benzene-1,3-diyl]dimethanesulfonamide |
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 | | D5X | | Name: | (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate | | Formula: | C5 H11 O8 P | | SMILES: | O=P(OCC(O)C(O)(O)C(=O)C)(O)O | | InChi: | InChI=1S/C5H11O8P/c1-3(6)5(8,9)4(7)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t4-/m0/s1 | | Definition date: | 2013-06-27 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate |
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 | | D8X | | Name: | (2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate | | Formula: | C8 H17 O8 P | | SMILES: | O=P(OCC(O)C(O)(O)C(=O)CC(C)C)(O)O | | InChi: | InChI=1S/C8H17O8P/c1-5(2)3-6(9)8(11,12)7(10)4-16-17(13,14)15/h5,7,10-12H,3-4H2,1-2H3,(H2,13,14,15)/t7-/m0/s1 | | Definition date: | 2013-06-27 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | (2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate |
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 | | JPP | | Name: | Piperacillin (Open Form) | | Formula: | C23 H29 N5 O7 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3 | | InChi: | InChI=1S/C23H29N5O7S/c1-4-27-10-11-28(20(32)19(27)31)22(35)25-15(13-8-6-5-7-9-13)17(30)24-14(12-29)18-26-16(21(33)34)23(2,3)36-18/h5-9,12,14-16,18,26H,4,10-11H2,1-3H3,(H,24,30)(H,25,35)(H,33,34)/t14-,15-,16+,18-/m1/s1 | | Definition date: | 2013-07-18 | | Last modified: | 2013-11-01 | | Release date: | 2013-11-06 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | RGK | | Name: | 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one | | Formula: | C14 H11 N3 O | | SMILES: | O=C2c3ccccc3N=C(c1ccc(N)cc1)N2 | | InChi: | InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18) | | Definition date: | 2013-06-20 | | Last modified: | 2013-10-25 | | Release date: | 2013-10-30 | | Identifier: | 2-(4-aminophenyl)quinazolin-4(3H)-one |
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