 | | 03W | | Name: | (2R)-propane-1,1,2,3-tetrol | | Formula: | C3 H8 O4 | | SMILES: | OCC(O)C(O)O | | InChi: | InChI=1S/C3H8O4/c4-1-2(5)3(6)7/h2-7H,1H2/t2-/m1/s1 | | Definition date: | 2011-10-11 | | Last modified: | 2011-10-21 | | Identifier: | (2R)-propane-1,1,2,3-tetrol |
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 | | YK9 | | Name: | 4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE | | Formula: | C19 H11 N3 O | | SMILES: | O=C4c3cccc(c2nc1cnccc1n2)c3c5ccccc45 | | InChi: | InChI=1S/C19H11N3O/c23-18-12-5-2-1-4-11(12)17-13(18)6-3-7-14(17)19-21-15-8-9-20-10-16(15)22-19/h1-10H,(H,21,22) | | Definition date: | 2011-05-26 | | Last modified: | 2011-10-21 | | Identifier: | 4-(1H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-one |
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 | | 07K | | Name: | 8-methylquinolin-4-amine | | Formula: | C10 H10 N2 | | SMILES: | n1ccc(c2cccc(c12)C)N | | InChi: | InChI=1S/C10H10N2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3,(H2,11,12) | | Definition date: | 2011-09-29 | | Last modified: | 2011-10-21 | | Identifier: | 8-methylquinolin-4-amine |
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 | | 07O | | Name: | S-[(2S)-2-phenylpropanoyl]-L-cysteine | | Formula: | C12 H15 N O3 S | | SMILES: | O=C(O)C(N)CSC(=O)C(c1ccccc1)C | | InChi: | InChI=1S/C12H15NO3S/c1-8(9-5-3-2-4-6-9)12(16)17-7-10(13)11(14)15/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10-/m0/s1 | | Definition date: | 2011-09-30 | | Last modified: | 2011-10-21 | | Identifier: | S-[(2S)-2-phenylpropanoyl]-L-cysteine |
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 | | LXV | | Name: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide | | Formula: | C12 H15 Br2 N3 O2 S | | SMILES: | Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C | | InChi: | InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1 | | Definition date: | 2010-11-02 | | Last modified: | 2011-10-21 | | Identifier: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide |
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 | | M06 | | Name: | 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile | | Formula: | C20 H14 Cl N5 O2 | | SMILES: | N#Cc4cc(OC1=C(C=CN(C1=O)Cc2c3cccnc3nn2)C)cc(Cl)c4 | | InChi: | InChI=1S/C20H14ClN5O2/c1-12-4-6-26(11-17-16-3-2-5-23-19(16)25-24-17)20(27)18(12)28-15-8-13(10-22)7-14(21)9-15/h2-9H,11H2,1H3,(H,23,24,25) | | Definition date: | 2011-08-09 | | Last modified: | 2011-10-21 | | Identifier: | 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile |
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 | | 3S1 | | Name: | 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one | | Formula: | C16 H13 N O2 | | SMILES: | O=C2c3ccc(c1ccccc1CO)cc3C=CN2 | | InChi: | InChI=1S/C16H13NO2/c18-10-13-3-1-2-4-14(13)11-5-6-15-12(9-11)7-8-17-16(15)19/h1-9,18H,10H2,(H,17,19) | | Definition date: | 2011-06-15 | | Last modified: | 2011-10-21 | | Identifier: | 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one |
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 | | 540 | | Name: | 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline | | Formula: | C19 H17 F N4 O | | SMILES: | Fc4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(OC)c4 | | InChi: | InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3 | | Definition date: | 2011-07-11 | | Last modified: | 2011-10-21 | | Identifier: | 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline |
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 | | 546 | | Name: | 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine | | Formula: | C18 H17 N5 O | | SMILES: | n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C | | InChi: | InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3 | | Definition date: | 2011-07-11 | | Last modified: | 2011-10-21 | | Identifier: | 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine |
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 | | 548 | | Name: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline | | Formula: | C19 H14 Cl F3 N4 | | SMILES: | FC(F)(F)c4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(Cl)c4 | | InChi: | InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3 | | Definition date: | 2011-07-11 | | Last modified: | 2011-10-21 | | Identifier: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline |
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 | | F41 | | Name: | N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide | | Formula: | C14 H18 N2 O3 | | SMILES: | O=C(Nc1ccc2OCOc2c1)CN3CCCCC3 | | InChi: | InChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17) | | Definition date: | 2010-11-15 | | Last modified: | 2011-10-21 | | Identifier: | N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide |
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 | | JN4 | | Name: | ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | | Formula: | C21 H21 N3 O4 S | | SMILES: | O=C(OC=C)c1c3c(sc1NC(=O)Cc2ccccc2)CN(C(=O)NC=C)CC3 | | InChi: | InChI=1S/C21H21N3O4S/c1-3-22-21(27)24-11-10-15-16(13-24)29-19(18(15)20(26)28-4-2)23-17(25)12-14-8-6-5-7-9-14/h3-9H,1-2,10-13H2,(H,22,27)(H,23,25) | | Definition date: | 2011-07-08 | | Last modified: | 2011-10-21 | | Identifier: | ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate |
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 | | JN7 | | Name: | 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate | | Formula: | C22 H24 N2 O5 S2 | | SMILES: | O=C(OC=C)N2Cc1sc(c(c1CC2)C(=O)OC3CCCC3)NC(=O)Cc4sccc4 | | InChi: | InChI=1S/C22H24N2O5S2/c1-2-28-22(27)24-10-9-16-17(13-24)31-20(23-18(25)12-15-8-5-11-30-15)19(16)21(26)29-14-6-3-4-7-14/h2,5,8,11,14H,1,3-4,6-7,9-10,12-13H2,(H,23,25) | | Definition date: | 2011-07-08 | | Last modified: | 2011-10-21 | | Identifier: | 3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate |
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 | | CMC | | Name: | CARBOXYMETHYL COENZYME *A | | Formula: | C23 H38 N7 O18 P3 S | | SMILES: | O=C(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-10-18 | | Identifier: | (3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name) |
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 | | 03T | | Name: | 1-benzothiophene-2-sulfonamide | | Formula: | C8 H7 N O2 S2 | | SMILES: | O=S(=O)(c2sc1ccccc1c2)N | | InChi: | InChI=1S/C8H7NO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11) | | Definition date: | 2011-10-05 | | Last modified: | 2011-10-14 | | Identifier: | 1-benzothiophene-2-sulfonamide |
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 | | YJX | | Name: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one | | Formula: | C18 H14 N4 O | | SMILES: | O=C2c1ccccc1C=5N2CCCC=5c4nc3ccncc3n4 | | InChi: | InChI=1S/C18H14N4O/c23-18-12-5-2-1-4-11(12)16-13(6-3-9-22(16)18)17-20-14-7-8-19-10-15(14)21-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21) | | Definition date: | 2011-05-24 | | Last modified: | 2011-10-14 | | Identifier: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one |
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 | | YKB | | Name: | N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-SUCCINAMIDE | | Formula: | C23 H19 N5 O2 | | SMILES: | O=C(N)CCC(=O)NC5c1ccccc1c4c5cccc4c3nc2ccncc2n3 | | InChi: | InChI=1S/C23H19N5O2/c24-19(29)8-9-20(30)28-22-14-5-2-1-4-13(14)21-15(22)6-3-7-16(21)23-26-17-10-11-25-12-18(17)27-23/h1-7,10-12,22H,8-9H2,(H2,24,29)(H,26,27)(H,28,30)/t22-/m1/s1 | | Definition date: | 2011-05-26 | | Last modified: | 2011-10-14 | | Identifier: | N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]butanediamide |
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 | | YKC | | Name: | N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL-ISONICOTINAMIDE | | Formula: | C25 H17 N5 O | | SMILES: | O=C(c1ccncc1)NC6c2ccccc2c5c6cccc5c4nc3ccncc3n4 | | InChi: | InChI=1S/C25H17N5O/c31-25(15-8-11-26-12-9-15)30-23-17-5-2-1-4-16(17)22-18(23)6-3-7-19(22)24-28-20-10-13-27-14-21(20)29-24/h1-14,23H,(H,28,29)(H,30,31)/t23-/m1/s1 | | Definition date: | 2011-05-26 | | Last modified: | 2011-10-14 | | Identifier: | N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide |
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 | | YKE | | Name: | N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide | | Formula: | C29 H19 N5 O | | SMILES: | O=C(c2c1cccnc1ccc2)NC=6C5=CC=CC(c4nc3ccncc3n4)C5=C7C=CC=CC=67 | | InChi: | InChI=1S/C29H19N5O/c35-29(20-8-4-12-23-17(20)11-5-14-31-23)34-27-19-7-2-1-6-18(19)26-21(27)9-3-10-22(26)28-32-24-13-15-30-16-25(24)33-28/h1-16,22H,(H,32,33)(H,34,35)/t22-/m1/s1 | | Definition date: | 2011-05-26 | | Last modified: | 2011-10-14 | | Identifier: | N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide |
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 | | YKI | | Name: | 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE | | Formula: | C27 H18 N6 O | | SMILES: | O=C(c1ccnc2c1ccn2)NC7c3ccccc3c6c(c4nc5ccncc5n4)cccc67 | | InChi: | InChI=1S/C27H18N6O/c34-27(18-9-13-30-25-17(18)8-12-29-25)33-24-16-5-2-1-4-15(16)23-19(24)6-3-7-20(23)26-31-21-10-11-28-14-22(21)32-26/h1-14,24H,(H,29,30)(H,31,32)(H,33,34)/t24-/m1/s1 | | Definition date: | 2011-05-27 | | Last modified: | 2011-10-14 | | Identifier: | N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide |
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 | | YKJ | | Name: | 2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE | | Formula: | C25 H18 N6 O | | SMILES: | O=C(c1ccnc(N)c1)NC6c2ccccc2c5c6cccc5c4nc3ccncc3n4 | | InChi: | InChI=1S/C25H18N6O/c26-21-12-14(8-11-28-21)25(32)31-23-16-5-2-1-4-15(16)22-17(23)6-3-7-18(22)24-29-19-9-10-27-13-20(19)30-24/h1-13,23H,(H2,26,28)(H,29,30)(H,31,32)/t23-/m1/s1 | | Definition date: | 2011-05-27 | | Last modified: | 2011-10-14 | | Identifier: | 2-amino-N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridine-4-carboxamide |
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 | | 07H | | Name: | [4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone | | Formula: | C24 H24 N4 O2 | | SMILES: | O=C(N1CCN(CC1)CC2=Cc3ccccc3OC2)c4cccc(c4)c5[nH]ncc5 | | InChi: | InChI=1S/C24H24N4O2/c29-24(21-6-3-5-19(15-21)22-8-9-25-26-22)28-12-10-27(11-13-28)16-18-14-20-4-1-2-7-23(20)30-17-18/h1-9,14-15H,10-13,16-17H2,(H,25,26) | | Definition date: | 2011-09-26 | | Last modified: | 2011-10-14 | | Identifier: | [4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone |
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 | | N04 | | Name: | (2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid | | Formula: | C23 H20 N2 O8 S | | SMILES: | OC(=O)CC[CH](NC(=O)c1cccc(COc2cccc(c2)C=C3SC(=O)NC3=O)c1)C(O)=O | | InChi: | InChI=1S/C23H20N2O8S/c26-19(27)8-7-17(22(30)31)24-20(28)15-5-1-4-14(9-15)12-33-16-6-2-3-13(10-16)11-18-21(29)25-23(32)34-18/h1-6,9-11,17H,7-8,12H2,(H,24,28)(H,26,27)(H,30,31)(H,25,29,32)/b18-11-/t17-/m1/s1 | | Definition date: | 2011-01-20 | | Last modified: | 2011-10-14 | | Identifier: | (2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid |
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 | | RKL | | Name: | Ru(tap)2(dppz) complex | | Formula: | C38 H22 N12 Ru | | SMILES: | n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13 | | InChi: | InChI=1S/C18H10N4.2C10H6N4.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16 | | Definition date: | 2011-02-09 | | Last modified: | 2011-10-14 | | Identifier: | (dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+) |
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 | | N21 | | Name: | (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid | | Formula: | C22 H20 N2 O9 S2 | | SMILES: | OC(=O)CC[CH](N[S](=O)(=O)c1ccc(COc2ccc(cc2)C=C3SC(=O)NC3=O)cc1)C(O)=O | | InChi: | InChI=1S/C22H20N2O9S2/c25-19(26)10-9-17(21(28)29)24-35(31,32)16-7-3-14(4-8-16)12-33-15-5-1-13(2-6-15)11-18-20(27)23-22(30)34-18/h1-8,11,17,24H,9-10,12H2,(H,25,26)(H,28,29)(H,23,27,30)/b18-11-/t17-/m1/s1 | | Definition date: | 2011-01-20 | | Last modified: | 2011-10-14 | | Identifier: | (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid |
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