 | | ZNP | | 表記: | (2R)-2-benzyl-3-nitropropanamide | | 組成式: | C10 H12 N2 O3 | | SMILES: | [O-][N+](=O)CC(C(=O)N)Cc1ccccc1 | | InChi: | InChI=1S/C10H12N2O3/c11-10(13)9(7-12(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)/t9-/m1/s1 | | 定義日: | 2009-01-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2R)-2-benzyl-3-nitropropanamide |
|
 | | XMF | | 表記: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | | 組成式: | C26 H29 Cl N4 O4 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(=O)N(CC3)CC5(CCN(c4ccncc4)CC5)CO | | InChi: | InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(33)17-31)18-26(19-32)7-11-29(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,32H,7-8,11-14,17-19H2 | | 定義日: | 2001-07-25 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one |
|
 | | XMG | | 表記: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID | | 組成式: | C26 H29 Cl N4 O4 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)O)N(CC4CCN(c3ccncc3)CC4)CC5 | | InChi: | InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(18-31)26(32)33)17-19-7-11-29(12-8-19)23-5-9-28-10-6-23/h1-6,9-10,15-16,19,25H,7-8,11-14,17-18H2,(H,32,33)/t25-/m0/s1 | | 定義日: | 2001-07-25 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid |
|
 | | S4M | | 表記: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE | | 組成式: | C14 H24 N6 O3 S | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS(CCCN)C)N | | InChi: | InChI=1S/C14H24N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22,24H,2-5,15H2,1H3,(H2,16,17,18)/t8-,10-,11-,14-/m1/s1 | | 定義日: | 2006-11-29 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 5'-[(S)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine |
|
 | | PPU | | 表記: | PUROMYCIN-5'-MONOPHOSPHATE | | 組成式: | C22 H30 N7 O8 P | | SMILES: | O=P(O)(O)OCC4OC(n2cnc1c2ncnc1N(C)C)C(O)C4NC(=O)C(N)Cc3ccc(OC)cc3 | | InChi: | InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(30)16(15(37-22)9-36-38(32,33)34)27-21(31)14(23)8-12-4-6-13(35-3)7-5-12/h4-7,10-11,14-16,18,22,30H,8-9,23H2,1-3H3,(H,27,31)(H2,32,33,34)/t14-,15+,16+,18+,22+/m0/s1 | | 定義日: | 2000-07-31 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine 5'-(dihydrogen phosphate) |
|
 | | APM | | 表記: | M-AMIDINOPHENYL-3-ALANINE | | 組成式: | C10 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc1cc(ccc1)C(=[N@H])N | | InChi: | InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 3-carbamimidoyl-L-phenylalanine |
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 | | J5Z | | 表記: | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | 組成式: | C13 H10 F3 N5 | | SMILES: | FC(F)(F)c1ccc(cc1)Nc2cc(nc3ncnn23)C | | InChi: | InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3 | | 定義日: | 2009-07-17 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | | XMI | | 表記: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | | 組成式: | C25 H27 Cl N4 O3 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(=O)N(CC3)CC5CCN(c4ccncc4)CC5 | | InChi: | InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-16-24(4-2-20(21)15-22)34(32,33)30-14-13-29(25(31)18-30)17-19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,15-16,19H,7-8,11-14,17-18H2 | | 定義日: | 2001-07-25 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one |
|
 | | PPW | | 表記: | 7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE | | 組成式: | C10 H14 N5 O7 P | | SMILES: | O=C1c2cnn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O | | InChi: | InChI=1S/C10H14N5O7P/c11-10-13-8-4(9(17)14-10)2-12-15(8)7-1-5(16)6(22-7)3-21-23(18,19)20/h2,5-7,16H,1,3H2,(H2,18,19,20)(H3,11,13,14,17)/t5-,6+,7+/m0/s1 | | 定義日: | 2005-03-07 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 6-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | XMJ | | 表記: | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | | 組成式: | C23 H27 Cl N4 O3 S | | SMILES: | Clc1ccc(cc1)C=CS(=O)(=O)N2CC(=O)N(CC2)CC4CCN(c3ccncc3)CC4 | | InChi: | InChI=1S/C23H27ClN4O3S/c24-21-3-1-19(2-4-21)9-16-32(30,31)28-15-14-27(23(29)18-28)17-20-7-12-26(13-8-20)22-5-10-25-11-6-22/h1-6,9-11,16,20H,7-8,12-15,17-18H2/b16-9+ | | 定義日: | 2001-07-27 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4-{[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl}-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one |
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 | | SY9 | | 表記: | STRYCHNINE | | 組成式: | C21 H22 N2 O2 | | SMILES: | O=C1C[CH]2OCC=C3C[N]4CC[C]56[CH]4C[CH]3[CH]2[CH]5N1c7ccccc67 | | InChi: | InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 | | 定義日: | 2010-11-19 | | 最終更新日: | 2011-06-04 |
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 | | PPX | | 表記: | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE | | 組成式: | C21 H27 N5 O2 | | SMILES: | O=C(NCCNc1ccncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C21H27N5O2/c22-18(15-16-5-2-1-3-6-16)21(28)26-14-4-7-19(26)20(27)25-13-12-24-17-8-10-23-11-9-17/h1-3,5-6,8-11,18-19H,4,7,12-15,22H2,(H,23,24)(H,25,27)/t18-,19+/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | D-phenylalanyl-N-[2-(pyridin-4-ylamino)ethyl]-L-prolinamide |
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 | | XMK | | 表記: | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | | 組成式: | C23 H29 Cl N4 O2 S | | SMILES: | Clc1ccc(cc1)C=CS(=O)(=O)N4CCN(CC3CCN(c2ccncc2)CC3)CC4 | | InChi: | InChI=1S/C23H29ClN4O2S/c24-22-3-1-20(2-4-22)9-18-31(29,30)28-16-14-26(15-17-28)19-21-7-12-27(13-8-21)23-5-10-25-11-6-23/h1-6,9-11,18,21H,7-8,12-17,19H2/b18-9+ | | 定義日: | 2001-07-27 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 1-{[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl}-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine |
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 | | PPY | | 表記: | 3-PHENYLPYRUVIC ACID | | 組成式: | C9 H8 O3 | | SMILES: | O=C(C(=O)O)Cc1ccccc1 | | InChi: | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-oxo-3-phenylpropanoic acid |
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 | | SYC | | 表記: | (pyridin-2-ylmethyl)phosphonic acid | | 組成式: | C6 H8 N O3 P | | SMILES: | O=P(O)(O)Cc1ncccc1 | | InChi: | InChI=1S/C6H8NO3P/c8-11(9,10)5-6-3-1-2-4-7-6/h1-4H,5H2,(H2,8,9,10) | | 定義日: | 2010-09-14 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (pyridin-2-ylmethyl)phosphonic acid |
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 | | PPZ | | 表記: | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL | | 組成式: | C11 H11 N5 O | | SMILES: | OCCNc3ncnc2c3nc1ccccn12 | | InChi: | InChI=1S/C11H11N5O/c17-6-4-12-10-9-11(14-7-13-10)16-5-2-1-3-8(16)15-9/h1-3,5,7,17H,4,6H2,(H,12,13,14) | | 定義日: | 2001-03-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-(pyrido[1,2-e]purin-4-ylamino)ethanol |
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 | | SYD | | 表記: | [(5-phenylpyridin-2-yl)methyl]phosphonic acid | | 組成式: | C12 H12 N O3 P | | SMILES: | O=P(O)(O)Cc1ncc(cc1)c2ccccc2 | | InChi: | InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16) | | 定義日: | 2010-09-14 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(5-phenylpyridin-2-yl)methyl]phosphonic acid |
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 | | APS | | 表記: | 9-HYDROXYPROPYLADENINE, S-ISOMER | | 組成式: | C8 H11 N5 O | | SMILES: | n1c(c2ncn(c2nc1)CC(O)C)N | | InChi: | InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m0/s1 | | 定義日: | 2000-05-24 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-1-(6-amino-9H-purin-9-yl)propan-2-ol |
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 | | OHH | | 表記: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID | | 組成式: | C40 H35 N2 O6 P | | SMILES: | O=C(c2cc1ccccc1cc2)N7CCC(N(C(=O)c6cc3ccccc3cc6C(=O)C(c5c4ccccc4ccc5)P(=O)(O)O)C)CC7 | | InChi: | InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)/t38-/m1/s1 | | 定義日: | 2004-05-06 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(1R)-2-(3-{methyl[1-(naphthalen-2-ylcarbonyl)piperidin-4-yl]carbamoyl}naphthalen-2-yl)-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid |
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 | | SYE | | 表記: | (quinolin-2-ylmethyl)phosphonic acid | | 組成式: | C10 H10 N O3 P | | SMILES: | O=P(O)(O)Cc1nc2ccccc2cc1 | | InChi: | InChI=1S/C10H10NO3P/c12-15(13,14)7-9-6-5-8-3-1-2-4-10(8)11-9/h1-6H,7H2,(H2,12,13,14) | | 定義日: | 2010-09-14 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (quinolin-2-ylmethyl)phosphonic acid |
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 | | PQ1 | | 表記: | PHOSPHORIC ACID MONO-[5-(2-AMINO-5-AMINOMETHYL-4-OXO-3,5-DIHYDRO-4H-PYRIDO[2,3-D]PYRIMIDIN-8-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | | 組成式: | C12 H18 N5 O8 P | | SMILES: | O=C1c2c(N=C(N)N1)n(cc2CN)C3OC(C(O)C3O)COP(=O)(O)O | | InChi: | InChI=1S/C12H18N5O8P/c13-1-4-2-17(9-6(4)10(20)16-12(14)15-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h2,5,7-8,11,18-19H,1,3,13H2,(H2,21,22,23)(H3,14,15,16,20)/t5-,7-,8-,11-/m1/s1 | | 定義日: | 2003-08-05 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-amino-5-(aminomethyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | J67 | | 表記: | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | | 組成式: | C25 H19 F N2 O4 | | SMILES: | O=C3C(=NO)/c2c(C=Cc1ccccc1)cccc2N3Cc5cc(F)cc4c5OCOC4 | | InChi: | InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,30H,13-15H2/b10-9+,27-23- | | 定義日: | 2009-02-16 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime |
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 | | APU | | 表記: | ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE | | 組成式: | C19 H25 N7 O15 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(OP(=O)(O)O)C2O)COP(=O)(O)OC5C(OC(n4cnc3c(ncnc34)N)C5O)CO | | InChi: | InChI=1S/C19H25N7O15P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-11(29)13(7(3-27)38-18)41-43(35,36)37-4-8-14(40-42(32,33)34)12(30)17(39-8)25-2-1-9(28)24-19(25)31/h1-2,5-8,11-14,17-18,27,29-30H,3-4H2,(H,35,36)(H2,20,21,22)(H,24,28,31)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2R,3S,4R,5R)-2-({[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate (non-preferred name) |
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 | | UKA | | 表記: | 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide | | 組成式: | C40 H47 N11 O6 | | SMILES: | O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c3nc(c4ncn(c4n3)C5OC(C(=O)NCC)C(O)C5O)NCC(c6ccccc6)c7ccccc7 | | InChi: | InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1 | | 定義日: | 2011-01-12 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 6-[(2,2-diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamide (non-preferred name) |
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 | | OHM | | 表記: | 3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE | | 組成式: | C16 H28 N2 O3 | | SMILES: | O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC | | InChi: | InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1 | | 定義日: | 2006-11-10 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide |
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