 | | 58Z | | Name: | 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid | | Formula: | C16 H20 N2 O3 | | SMILES: | O=C(O)C3CCN(CCOc2cc1ccnc1cc2)CC3 | | InChi: | InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20) | | Definition date: | 2009-01-20 | | Last modified: | 2011-06-04 | | Identifier: | 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid |
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 | | 593 | | Name: | (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one | | Formula: | C20 H25 N3 O | | SMILES: | O=C1N(C(=NC1(c2ccccc2)C53CC4CC(CC(C3)C4)C5)N)C | | InChi: | InChI=1S/C20H25N3O/c1-23-17(24)20(22-18(23)21,16-5-3-2-4-6-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3,(H2,21,22)/t13-,14+,15-,19-,20-/m0/s1 | | Definition date: | 2009-08-21 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one |
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 | | 595 | | Name: | N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide | | Formula: | C35 H46 N4 O6 S | | SMILES: | O=S(=O)(N(C(C=O)CCCC(NC(=O)C(NC(=O)OC)C(c1ccccc1)c2ccccc2)C)CCC(C)C)c3ccc(N)cc3 | | InChi: | InChI=1S/C35H46N4O6S/c1-25(2)22-23-39(46(43,44)31-20-18-29(36)19-21-31)30(24-40)17-11-12-26(3)37-34(41)33(38-35(42)45-4)32(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-16,18-21,24-26,30,32-33H,11-12,17,22-23,36H2,1-4H3,(H,37,41)(H,38,42)/t26-,30-,33-/m0/s1 | | Definition date: | 2010-04-06 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2S,6S)-6-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-7-oxoheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide |
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 | | 598 | | Name: | 6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID | | Formula: | C25 H24 N2 O7 S3 | | SMILES: | O=S(=O)(N4CCC(Nc1cc2sc3c(OCC(=O)O)c(sc3c2cc1)C(=O)O)CC4)Cc5ccccc5 | | InChi: | InChI=1S/C25H24N2O7S3/c28-20(29)13-34-21-23-22(36-24(21)25(30)31)18-7-6-17(12-19(18)35-23)26-16-8-10-27(11-9-16)37(32,33)14-15-4-2-1-3-5-15/h1-7,12,16,26H,8-11,13-14H2,(H,28,29)(H,30,31) | | Definition date: | 2005-09-30 | | Last modified: | 2011-06-04 | | Identifier: | 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid |
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 | | 599 | | Name: | 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol | | Formula: | C29 H30 Cl2 N4 O3 | | SMILES: | Clc5ccc(C#Cc1c(Cl)ccc(c1)c2nn(c3c2CN(C(=O)CO)CC3)CCCN4CCOCC4)cc5 | | InChi: | InChI=1S/C29H30Cl2N4O3/c30-24-7-3-21(4-8-24)2-5-22-18-23(6-9-26(22)31)29-25-19-34(28(37)20-36)13-10-27(25)35(32-29)12-1-11-33-14-16-38-17-15-33/h3-4,6-9,18,36H,1,10-17,19-20H2 | | Definition date: | 2009-07-23 | | Last modified: | 2011-06-04 | | Identifier: | 1-(3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-hydroxyethanone |
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 | | 59R | | Name: | 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine | | Formula: | C20 H27 F N4 O | | SMILES: | Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)ccc3 | | InChi: | InChI=1S/C20H27FN4O/c21-17-4-1-3-15(11-17)7-8-23-9-10-26-19-14-24-13-16(19)12-18-5-2-6-20(22)25-18/h1-6,11,16,19,23-24H,7-10,12-14H2,(H2,22,25)/t16-,19+/m1/s1 | | Definition date: | 2010-06-30 | | Last modified: | 2011-06-04 | | Identifier: | 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine |
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 | | 59W | | Name: | 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine | | Formula: | C20 H27 F N4 O | | SMILES: | Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)ccc3 | | InChi: | InChI=1S/C20H27FN4O/c21-17-4-1-3-15(11-17)7-8-23-9-10-26-19-14-24-13-16(19)12-18-5-2-6-20(22)25-18/h1-6,11,16,19,23-24H,7-10,12-14H2,(H2,22,25)/t16-,19+/m0/s1 | | Definition date: | 2010-07-01 | | Last modified: | 2011-06-04 | | Identifier: | 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine |
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 | | 5AD | | Name: | 5'-DEOXYADENOSINE | | Formula: | C10 H13 N5 O3 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N | | InChi: | InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-deoxyadenosine |
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 | | 5AN | | Name: | 3,5-DIFLUOROANILINE | | Formula: | C6 H5 F2 N | | SMILES: | Fc1cc(N)cc(F)c1 | | InChi: | InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2 | | Definition date: | 2002-04-18 | | Last modified: | 2011-06-04 | | Identifier: | 3,5-difluoroaniline |
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 | | 5AS | | Name: | 5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE | | Formula: | C12 H18 N6 O6 S | | SMILES: | O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)NCC | | InChi: | InChI=1S/C12H18N6O6S/c1-2-17-25(21,22)23-3-6-8(19)9(20)12(24-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,17,19-20H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2004-01-16 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-(ethylsulfamoyl)adenosine |
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 | | 5AT | | Name: | 5'-AMINO-5'-DEOXYTHYMIDINE | | Formula: | C10 H15 N3 O4 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN | | InChi: | InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 | | Definition date: | 1999-08-12 | | Last modified: | 2011-06-04 | | Identifier: | 5'-amino-5'-deoxythymidine |
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 | | 5B1 | | Name: | 5-bromo-1H-indazol-3-amine | | Formula: | C7 H6 Br N3 | | SMILES: | Brc1cc2c(cc1)nnc2N | | InChi: | InChI=1S/C7H6BrN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11) | | Definition date: | 2008-08-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-bromo-1H-indazol-3-amine |
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 | | 5B2 | | Name: | 5-phenyl-1H-indazol-3-amine | | Formula: | C13 H11 N3 | | SMILES: | n2c(c1cc(ccc1n2)c3ccccc3)N | | InChi: | InChI=1S/C13H11N3/c14-13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16) | | Definition date: | 2008-08-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-phenyl-1H-indazol-3-amine |
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 | | 5B3 | | Name: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide | | Formula: | C17 H20 N4 O2 S | | SMILES: | O=S(=O)(NC(C)(C)C)c3ccc(c1cc2c(cc1)nnc2N)cc3 | | InChi: | InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20) | | Definition date: | 2008-08-19 | | Last modified: | 2011-06-04 | | Identifier: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide |
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 | | 5BD | | Name: | N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide] | | Formula: | C22 H24 N4 O4 | | SMILES: | O=C(Nc3ccc2C(=O)c1c(cc(cc1)NC(=O)CN(C)C)C(=O)c2c3)CN(C)C | | InChi: | InChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28) | | Definition date: | 2009-03-24 | | Last modified: | 2011-06-04 | | Identifier: | N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide] |
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 | | 5BE | | Name: | 3-methyl-5-[5-(1-methylethyl)-1H-benzimidazol-2-yl]-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide | | Formula: | C21 H28 N6 O | | SMILES: | O=C(c3c(c2nc1cc(ccc1n2)C(C)C)nnc3C)NC4CCN(C)CC4 | | InChi: | InChI=1S/C21H28N6O/c1-12(2)14-5-6-16-17(11-14)24-20(23-16)19-18(13(3)25-26-19)21(28)22-15-7-9-27(4)10-8-15/h5-6,11-12,15H,7-10H2,1-4H3,(H,22,28)(H,23,24)(H,25,26) | | Definition date: | 2010-06-23 | | Last modified: | 2011-06-04 | | Identifier: | 3-methyl-N-(1-methylpiperidin-4-yl)-5-[5-(propan-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazole-4-carboxamide |
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 | | 5BM | | Name: | (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile | | Formula: | C18 H16 N6 S2 | | SMILES: | N#CC(=C(/Sc1ccccc1N)N)C(/C#N)=C(/Sc2ccccc2N)N | | InChi: | InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+ | | Definition date: | 2008-10-13 | | Last modified: | 2011-06-04 | | Identifier: | (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile |
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 | | 5BN | | Name: | 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE | | Formula: | C17 H15 F N4 O | | SMILES: | Fc1ccc2c3c1c(cc(c3C(=O)N2)c4cccn4)NCCN | | InChi: | InChI=1S/C17H15FN4O/c18-10-3-4-12-16-14(17(23)22-12)9(11-2-1-6-20-11)8-13(15(10)16)21-7-5-19/h1-4,6,8,20-21H,5,7,19H2,(H,22,23) | | Definition date: | 2003-04-21 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(2-aminoethyl)amino]-6-fluoro-3-(1H-pyrrol-2-yl)benzo[cd]indol-2(1H)-one |
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 | | 5BP | | Name: | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine | | Formula: | C13 H12 N6 | | SMILES: | n1cc(c2cccnn12)c3nc(ncc3)NC4CC4 | | InChi: | InChI=1S/C13H12N6/c1-2-12-10(8-16-19(12)15-6-1)11-5-7-14-13(18-11)17-9-3-4-9/h1-2,5-9H,3-4H2,(H,14,17,18) | | Definition date: | 2008-09-22 | | Last modified: | 2011-06-04 | | Identifier: | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine |
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 | | 5BU | | Name: | 5-BROMO-URIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H12 Br N2 O9 P | | SMILES: | BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 | | Definition date: | 2003-11-05 | | Last modified: | 2011-06-04 | | Identifier: | 5-bromouridine 5'-(dihydrogen phosphate) |
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 | | 5CA | | Name: | 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | | Formula: | C13 H19 N7 O7 S2 | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CS | | InChi: | InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 | | Definition date: | 2003-01-07 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-(L-cysteinylsulfamoyl)adenosine |
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 | | 5CB | | Name: | N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE | | Formula: | C22 H23 Cl2 N5 O2 S | | SMILES: | ClC1N(C(O)C(=NC1)NCCc2ncccc2)CC(=O)NCc3c4cc(Cl)ccc4sc3 | | InChi: | InChI=1S/C22H23Cl2N5O2S/c23-15-4-5-18-17(9-15)14(13-32-18)10-27-20(30)12-29-19(24)11-28-21(22(29)31)26-8-6-16-3-1-2-7-25-16/h1-5,7,9,13,19,22,31H,6,8,10-12H2,(H,26,28)(H,27,30)/t19-,22-/m0/s1 | | Definition date: | 2005-07-04 | | Last modified: | 2011-06-04 | | Identifier: | N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-[(2R,6S)-2-chloro-6-hydroxy-5-[(2-pyridin-2-ylethyl)amino]-3,6-dihydropyrazin-1(2H)-yl]acetamide |
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 | | 5CD | | Name: | 5'-CHLORO-5'-DEOXYADENOSINE | | Formula: | C10 H12 Cl N5 O3 | | SMILES: | ClCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2005-09-30 | | Last modified: | 2011-06-04 | | Identifier: | 5'-chloro-5'-deoxyadenosine |
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 | | 5CF | | Name: | 5-fluorocytidine 5'-(dihydrogen phosphate) | | Formula: | C9 H13 F N3 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)C(O)C2O | | InChi: | InChI=1S/C9H13FN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 | | Definition date: | 2009-10-05 | | Last modified: | 2011-06-04 | | Identifier: | 5-fluorocytidine 5'-(dihydrogen phosphate) |
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 | | 5CG | | Name: | 5'-CHLORO-5'-DEOXY-GUANOSINE | | Formula: | C10 H12 Cl N5 O4 | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CCl | | InChi: | InChI=1S/C10H12ClN5O4/c11-1-3-5(17)6(18)9(20-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2002-07-25 | | Last modified: | 2011-06-04 | | Identifier: | 5'-chloro-5'-deoxyguanosine |
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