 | | 25D | | Name: | 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine | | Formula: | C30 H35 N3 O4 | | SMILES: | O=C(Nc1c(cc(cc1C)C)C)Nc3cc4c(cc3C(=O)NC(C(=O)O)(C)C2CCCCC2)cccc4 | | InChi: | InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1 | | Definition date: | 2008-06-10 | | Last modified: | 2011-06-04 | | Identifier: | 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine |
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 | | XDP | | Name: | D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE | | Formula: | C5 H14 O12 P2 | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)(O)COP(=O)(O)O | | InChi: | InChI=1S/C5H14O12P2/c6-3(1-16-18(10,11)12)4(7)5(8,9)2-17-19(13,14)15/h3-4,6-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S)-2,3,4,4-tetrahydroxy-5-(phosphonooxy)pentyl dihydrogen phosphate (non-preferred name) |
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 | | 25P | | Name: | 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate | | Formula: | C21 H23 Cl N O4 | | SMILES: | Clc3ccc(Oc2ccc(OCC1N(CCCC([O-])=O)CCC1)cc2)cc3 | | InChi: | InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/p-1/t17-/m0/s1 | | Definition date: | 2008-12-11 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate |
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 | | XED | | Name: | DEXTROFLOXACINE | | Formula: | C18 H20 F N3 O4 | | SMILES: | Fc4cc1c2N(C=C(C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C | | InChi: | InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1 | | Definition date: | 2005-03-15 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid |
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 | | 26A | | Name: | 6N-DIMETHYLADENOSINE | | Formula: | C12 H17 N5 O4 | | SMILES: | n2c1c(ncnc1N(C)C)n(c2)C3OC(C(O)C3O)CO | | InChi: | InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2005-07-28 | | Last modified: | 2011-06-04 | | Identifier: | N,N-dimethyladenosine |
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 | | 26B | | Name: | O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-L-threonine | | Formula: | C29 H35 N3 O5 | | SMILES: | O=C(Nc1c(cc(cc1C)C)C)Nc3cc2ccccc2cc3C(=O)NC(C(=O)O)C(OC(C)(C)C)C | | InChi: | InChI=1S/C29H35N3O5/c1-16-12-17(2)24(18(3)13-16)32-28(36)30-23-15-21-11-9-8-10-20(21)14-22(23)26(33)31-25(27(34)35)19(4)37-29(5,6)7/h8-15,19,25H,1-7H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,25+/m1/s1 | | Definition date: | 2008-06-10 | | Last modified: | 2011-06-04 | | Identifier: | O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-L-threonine |
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 | | 26F | | Name: | (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide | | Formula: | C26 H28 F3 N5 O7 S | | SMILES: | O=S(=O)(c1ccc(OC(F)(F)F)cc1)N4C(C(=O)NCc2ccc(OC)cc2)CN(c3nc(OC)nc(OC)c3)CC4 | | InChi: | InChI=1S/C26H28F3N5O7S/c1-38-18-6-4-17(5-7-18)15-30-24(35)21-16-33(22-14-23(39-2)32-25(31-22)40-3)12-13-34(21)42(36,37)20-10-8-19(9-11-20)41-26(27,28)29/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,30,35)/t21-/m1/s1 | | Definition date: | 2011-02-12 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide |
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 | | 26S | | Name: | (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide | | Formula: | C27 H33 N5 O6 S | | SMILES: | O=S(=O)(c1ccc(cc1)CC)N4C(C(=O)NCc2ccc(OC)cc2)CN(c3nc(OC)nc(OC)c3)CC4 | | InChi: | InChI=1S/C27H33N5O6S/c1-5-19-8-12-22(13-9-19)39(34,35)32-15-14-31(24-16-25(37-3)30-27(29-24)38-4)18-23(32)26(33)28-17-20-6-10-21(36-2)11-7-20/h6-13,16,23H,5,14-15,17-18H2,1-4H3,(H,28,33)/t23-/m1/s1 | | Definition date: | 2011-02-12 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide |
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 | | XEZ | | Name: | 6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE | | Formula: | C12 H9 N7 | | SMILES: | n2c3n(c(c1nncc1)c2)cc(nc3)c4cnnc4 | | InChi: | InChI=1S/C12H9N7/c1-2-15-18-9(1)11-5-14-12-6-13-10(7-19(11)12)8-3-16-17-4-8/h1-7H,(H,15,18)(H,16,17) | | Definition date: | 2010-05-19 | | Last modified: | 2011-06-04 | | Identifier: | 3-(1H-pyrazol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine |
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 | | 272 | | Name: | 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL | | Formula: | C13 H9 N O4 | | SMILES: | n2oc1cc(O)ccc1c2c3ccc(O)cc3O | | InChi: | InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H | | Definition date: | 2004-08-02 | | Last modified: | 2011-06-04 | | Identifier: | 4-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol |
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 | | 276 | | Name: | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | | Formula: | C21 H15 Cl F3 N5 O2 | | SMILES: | FC(F)(F)c1cc(ccc1Cl)Nc4nc3ccc(Oc2ccnc(C(=O)NC)c2)cc3n4 | | InChi: | InChI=1S/C21H15ClF3N5O2/c1-26-19(31)18-10-13(6-7-27-18)32-12-3-5-16-17(9-12)30-20(29-16)28-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,1H3,(H,26,31)(H2,28,29,30) | | Definition date: | 2007-08-09 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-6-yl)oxy]-N-methylpyridine-2-carboxamide |
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 | | 277 | | Name: | N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE | | Formula: | C17 H30 F N3 O2 | | SMILES: | FC2CCN(C(=O)C(N)C(C)C1CCC(N(C(=O)C)C)CC1)C2 | | InChi: | InChI=1S/C17H30FN3O2/c1-11(16(19)17(23)21-9-8-14(18)10-21)13-4-6-15(7-5-13)20(3)12(2)22/h11,13-16H,4-10,19H2,1-3H3/t11-,13-,14-,15-,16-/m0/s1 | | Definition date: | 2007-04-13 | | Last modified: | 2011-06-04 | | Identifier: | N-(trans-4-{(1S,2S)-2-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-N-methylacetamide |
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 | | 279 | | Name: | N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | | Formula: | C19 H22 N6 O3 | | SMILES: | O=C(NOC)c1cc(c(cc1)C)Nc2ncnn3c2c(c(c3)C(=O)NCC)C | | InChi: | InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23) | | Definition date: | 2007-10-25 | | Last modified: | 2011-06-04 | | Identifier: | N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
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 | | 27A | | Name: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide | | Formula: | C13 H19 N5 S | | SMILES: | S=C(/N=NCc2c(N1CCN(C)CC1)cccc2)N | | InChi: | InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)/b16-15- | | Definition date: | 2009-03-27 | | Last modified: | 2011-06-04 | | Identifier: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide |
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 | | XFE | | Name: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine | | Formula: | C11 H15 N5 | | SMILES: | n1cnc(c2c(cnc12)C)N3CCC(N)C3 | | InChi: | InChI=1S/C11H15N5/c1-7-4-13-10-9(7)11(15-6-14-10)16-3-2-8(12)5-16/h4,6,8H,2-3,5,12H2,1H3,(H,13,14,15)/t8-/m1/s1 | | Definition date: | 2010-05-07 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine |
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 | | XFH | | Name: | 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine | | Formula: | C22 H26 N4 | | SMILES: | n1c(cc(cc1N)CCc2cccc(c2)CCc3nc(N)cc(c3)C)C | | InChi: | InChI=1S/C22H26N4/c1-15-10-20(26-21(23)11-15)9-8-18-5-3-4-17(13-18)6-7-19-12-16(2)25-22(24)14-19/h3-5,10-14H,6-9H2,1-2H3,(H2,23,26)(H2,24,25) | | Definition date: | 2010-05-27 | | Last modified: | 2011-06-04 | | Identifier: | 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine |
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 | | XFI | | Name: | N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE | | Formula: | C33 H42 N4 O5 S | | SMILES: | O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c3cccc(N(c2ccccc2)S(=O)(=O)C)c3)Cc4ccccc4)C | | InChi: | InChI=1S/C33H42N4O5S/c1-24(32(39)35-27-16-8-4-9-17-27)34-23-31(38)30(21-25-13-6-3-7-14-25)36-33(40)26-15-12-20-29(22-26)37(43(2,41)42)28-18-10-5-11-19-28/h3,5-7,10-15,18-20,22,24,27,30-31,34,38H,4,8-9,16-17,21,23H2,1-2H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1 | | Definition date: | 2010-05-24 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-[(methylsulfonyl)(phenyl)amino]benzamide |
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 | | XFJ | | Name: | 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) | | Formula: | C21 H25 N5 | | SMILES: | n1c(N)cc(cc1CCc2cc(cnc2)CCc3nc(N)cc(c3)C)C | | InChi: | InChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26) | | Definition date: | 2010-05-27 | | Last modified: | 2011-06-04 | | Identifier: | 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) |
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 | | XFK | | Name: | 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine | | Formula: | C21 H25 N5 | | SMILES: | n1c(cc(cc1N)CCc2cc(cnc2)CCc3nc(N)cc(c3)C)C | | InChi: | InChI=1S/C21H25N5/c1-14-7-19(26-20(22)8-14)6-5-18-10-17(12-24-13-18)4-3-16-9-15(2)25-21(23)11-16/h7-13H,3-6H2,1-2H3,(H2,22,26)(H2,23,25) | | Definition date: | 2010-05-27 | | Last modified: | 2011-06-04 | | Identifier: | 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine |
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 | | XFL | | Name: | 6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) | | Formula: | C21 H25 N5 | | SMILES: | n1c(N)cc(cc1CCc2nc(ccc2)CCc3nc(N)cc(c3)C)C | | InChi: | InChI=1S/C21H25N5/c1-14-10-18(25-20(22)12-14)8-6-16-4-3-5-17(24-16)7-9-19-11-15(2)13-21(23)26-19/h3-5,10-13H,6-9H2,1-2H3,(H2,22,25)(H2,23,26) | | Definition date: | 2010-05-27 | | Last modified: | 2011-06-04 | | Identifier: | 6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) |
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 | | XFM | | Name: | 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine | | Formula: | C21 H25 N5 | | SMILES: | n1c(cc(cc1N)CCc2nc(ccc2)CCc3nc(N)cc(c3)C)C | | InChi: | InChI=1S/C21H25N5/c1-14-10-19(26-20(22)11-14)9-8-18-5-3-4-17(25-18)7-6-16-12-15(2)24-21(23)13-16/h3-5,10-13H,6-9H2,1-2H3,(H2,22,26)(H2,23,24) | | Definition date: | 2010-05-27 | | Last modified: | 2011-06-04 | | Identifier: | 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine |
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 | | XFN | | Name: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) | | Formula: | C22 H27 N5 | | SMILES: | n1c(N)cc(cc1CCc2cc(cc(N)c2)CCc3nc(N)cc(c3)C)C | | InChi: | InChI=1S/C22H27N5/c1-14-7-19(26-21(24)9-14)5-3-16-11-17(13-18(23)12-16)4-6-20-8-15(2)10-22(25)27-20/h7-13H,3-6,23H2,1-2H3,(H2,24,26)(H2,25,27) | | Definition date: | 2010-05-27 | | Last modified: | 2011-06-04 | | Identifier: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) |
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 | | 27P | | Name: | 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine | | Formula: | C19 H23 N O | | SMILES: | O(c1ccc(cc1)Cc2ccccc2)CCN3CCCC3 | | InChi: | InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2 | | Definition date: | 2008-12-11 | | Last modified: | 2011-06-04 | | Identifier: | 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine |
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 | | XG4 | | Name: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine | | Formula: | C10 H17 N6 O12 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | | InChi: | InChI=1S/C10H17N6O12P3/c11-10-13-8-7(9(18)14-10)12-3-16(8)6-1-4(17)5(27-6)2-26-29(19,20)15-30(21,22)28-31(23,24)25/h3-6,17H,1-2H2,(H2,23,24,25)(H3,11,13,14,18)(H3,15,19,20,21,22)/t4-,5+,6+/m0/s1 | | Definition date: | 2010-06-21 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine |
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 | | 281 | | Name: | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID | | Formula: | C20 H25 N4 O6 P S2 | | SMILES: | O=C(O)C(c1cccc(c1)CN)CP(=O)(O)C(NS(=O)(=O)c2cccc3nsnc23)C(C)C | | InChi: | InChI=1S/C20H25N4O6PS2/c1-12(2)19(24-33(29,30)17-8-4-7-16-18(17)23-32-22-16)31(27,28)11-15(20(25)26)14-6-3-5-13(9-14)10-21/h3-9,12,15,19,24H,10-11,21H2,1-2H3,(H,25,26)(H,27,28)/t15-,19+/m0/s1 | | Definition date: | 2007-04-26 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid |
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