 | | PMD | | Name: | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | | Formula: | C21 H17 N7 | | SMILES: | n1cc(nc2c1nc(nc2N)N)CN5c3ccccc3C=Cc4c5cccc4 | | InChi: | InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27) | | Definition date: | 2002-01-08 | | Last modified: | 2011-06-04 | | Identifier: | 6-(5H-dibenzo[b,f]azepin-5-ylmethyl)pteridine-2,4-diamine |
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 | | TAA | | Name: | [4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]-PHOSPHONIC ACID MONO-[2-(2,2-DICHLORO-1-HYDROXY-ETHYLAMINO)-3-HYDROXY-1-(4-NITRO-PHENYL)-PROPYL] ESTER | | Formula: | C20 H21 Cl2 F3 N3 O8 P | | SMILES: | FC(F)(F)C(=O)Nc1ccc(cc1)CP(=O)(OC(c2ccc(cc2)[N+]([O-])=O)C(NC(O)C(Cl)Cl)CO)O | | InChi: | InChI=1S/C20H21Cl2F3N3O8P/c21-17(22)18(30)27-15(9-29)16(12-3-7-14(8-4-12)28(32)33)36-37(34,35)10-11-1-5-13(6-2-11)26-19(31)20(23,24)25/h1-8,15-18,27,29-30H,9-10H2,(H,26,31)(H,34,35)/t15-,16-,18+/m1/s1 | | Definition date: | 1999-09-02 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2R)-2-{[(1S)-2,2-dichloro-1-hydroxyethyl]amino}-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen (S)-{4-[(trifluoroacetyl)amino]benzyl}phosphonate |
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 | | 062 | | Name: | 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE | | Formula: | C26 H25 Cl N4 O4 | | SMILES: | O=C(NCc1cc(Cl)ccc1CN)C5N(C(=O)C4(O)c2ccccc2c3c[n+]([O-])ccc34)CCC5 | | InChi: | InChI=1S/C26H25ClN4O4/c27-18-8-7-16(13-28)17(12-18)14-29-24(32)23-6-3-10-31(23)25(33)26(34)21-5-2-1-4-19(21)20-15-30(35)11-9-22(20)26/h1-2,4-5,7-9,11-12,15,23,34H,3,6,10,13-14,28H2,(H,29,32)/t23-,26+/m0/s1 | | Definition date: | 2005-05-26 | | Last modified: | 2011-06-04 | | Identifier: | N-[2-(aminomethyl)-5-chlorobenzyl]-1-{[(5R)-5-hydroxy-2-oxido-5H-indeno[1,2-c]pyridin-5-yl]carbonyl}-L-prolinamide |
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 | | XM5 | | Name: | 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one | | Formula: | C12 H11 N O4 | | SMILES: | O=C1C=C(OC)c3c(N1C)c2OCOc2cc3 | | InChi: | InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3 | | Definition date: | 2009-02-06 | | Last modified: | 2011-06-04 | | Identifier: | 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one |
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 | | KAF | | Name: | N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine | | Formula: | C28 H30 N2 O6 | | SMILES: | O=C(O)C(NC(=O)CCC(O)(O)C(NC(=O)c1ccccc1)Cc2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C28H30N2O6/c31-25(29-23(27(33)34)18-20-10-4-1-5-11-20)16-17-28(35,36)24(19-21-12-6-2-7-13-21)30-26(32)22-14-8-3-9-15-22/h1-15,23-24,35-36H,16-19H2,(H,29,31)(H,30,32)(H,33,34)/t23-,24-/m0/s1 | | Definition date: | 2007-12-18 | | Last modified: | 2011-06-04 | | Identifier: | N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-phenylalanine |
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 | | KAG | | Name: | 2'-DEOXY-N-[(1S)-1-METHYL-3-OXOPROPYL]GUANOSINE 5'-PHOSPHATE | | Formula: | C14 H20 N5 O8 P | | SMILES: | O=CCC(NC3=Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3)C | | InChi: | InChI=1S/C14H20N5O8P/c1-7(2-3-20)16-14-17-12-11(13(22)18-14)15-6-19(12)10-4-8(21)9(27-10)5-26-28(23,24)25/h3,6-10,21H,2,4-5H2,1H3,(H2,23,24,25)(H2,16,17,18,22)/t7-,8-,9+,10+/m0/s1 | | Definition date: | 2006-07-11 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-N-[(1S)-1-methyl-3-oxopropyl]guanosine 5'-(dihydrogen phosphate) |
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 | | VBZ | | Name: | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol | | Formula: | C15 H21 N O4 | | SMILES: | OCC2CC3N(Cc1ccccc1)CC2(O)C(O)C3O | | InChi: | InChI=1S/C15H21NO4/c17-8-11-6-12-13(18)14(19)15(11,20)9-16(12)7-10-4-2-1-3-5-10/h1-5,11-14,17-20H,6-9H2/t11-,12-,13-,14-,15-/m1/s1 | | Definition date: | 2008-02-08 | | Last modified: | 2011-06-04 | | Identifier: | (1R,4S,5R,6R,8R)-2-benzyl-8-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4,5,6-triol |
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 | | U3H | | Name: | 3'-DEOXY-URIDINE 5'-TRIPHOSPHATE | | Formula: | C9 H17 N2 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C=CC(=O)NC1O)C(O)C2 | | InChi: | InChI=1S/C9H17N2O14P3/c12-6-3-5(23-8(6)11-2-1-7(13)10-9(11)14)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8-9,12,14H,3-4H2,(H,10,13)(H,18,19)(H,20,21)(H2,15,16,17)/t5-,6+,8+,9+/m0/s1 | | Definition date: | 2002-10-29 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-1-{3-deoxy-5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-2-hydroxy-2,3-dihydropyrimidin-4(1H)-one |
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 | | 066 | | Name: | 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide | | Formula: | C27 H26 N4 O5 S | | SMILES: | O=C(N(C)C)c1cc(ccc1)S(=O)(=O)c2cc(c3ncc(c(c3c2)Nc4cccc(OC)c4)C(=O)N)C | | InChi: | InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30) | | Definition date: | 2009-04-03 | | Last modified: | 2011-06-04 | | Identifier: | 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide |
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 | | XMA | | Name: | (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE | | Formula: | C27 H29 Cl N4 O5 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N4CC(=O)N3CC6(OC3(COC)C4)CCN(c5ccncc5)CC6 | | InChi: | InChI=1S/C27H29ClN4O5S/c1-36-19-27-18-31(38(34,35)24-5-3-20-14-22(28)4-2-21(20)15-24)16-25(33)32(27)17-26(37-27)8-12-30(13-9-26)23-6-10-29-11-7-23/h2-7,10-11,14-15H,8-9,12-13,16-19H2,1H3/t27-/m0/s1 | | Definition date: | 2001-03-12 | | Last modified: | 2011-06-04 | | Identifier: | (8aS)-7-[(6-chloronaphthalen-2-yl)sulfonyl]-8a-(methoxymethyl)-1'-pyridin-4-yltetrahydro-5H-spiro[1,3-oxazolo[3,2-a]pyrazine-2,4'-piperidin]-5-one |
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 | | TAF | | Name: | 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINE-5'-PHOSPHATE | | Formula: | C10 H14 F N2 O8 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2F)COP(=O)(O)O | | InChi: | InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | XMB | | Name: | 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE | | Formula: | C28 H34 Cl N5 O5 S2 | | SMILES: | O=S5(=O)CCN(C(=O)C(NCC2CCN(c1ccncc1)CC2)CNS(=O)(=O)c4cc3ccc(Cl)cc3cc4)CC5 | | InChi: | InChI=1S/C28H34ClN5O5S2/c29-24-3-1-23-18-26(4-2-22(23)17-24)41(38,39)32-20-27(28(35)34-13-15-40(36,37)16-14-34)31-19-21-7-11-33(12-8-21)25-5-9-30-10-6-25/h1-6,9-10,17-18,21,27,31-32H,7-8,11-16,19-20H2/t27-/m0/s1 | | Definition date: | 2001-07-25 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-N-[(2S)-3-(1,1-dioxidothiomorpholin-4-yl)-3-oxo-2-{[(1-pyridin-4-ylpiperidin-4-yl)methyl]amino}propyl]naphthalene-2-sulfonamide |
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 | | TP1 | | Name: | 2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE | | Formula: | C12 H18 N4 O5 | | SMILES: | O=C(N(CC(=O)O)CCNC)CN1C=C(C(=O)NC1=O)C | | InChi: | InChI=1S/C12H18N4O5/c1-8-5-16(12(21)14-11(8)20)6-9(17)15(4-3-13-2)7-10(18)19/h5,13H,3-4,6-7H2,1-2H3,(H,18,19)(H,14,20,21) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[2-(methylamino)ethyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
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 | | 068 | | Name: | (3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID | | Formula: | C19 H20 O4 | | SMILES: | O=C(c2ccc(c1ccc(cc1)CCC(O)CC(=O)O)cc2)C | | InChi: | InChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23)/t18-/m0/s1 | | Definition date: | 2009-07-22 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid |
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 | | XMC | | Name: | 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE | | Formula: | C30 H34 Cl N5 O5 S | | SMILES: | O=C(N1CCOCC1)C4N(C(=O)CN(S(=O)(=O)c3cc2ccc(Cl)cc2cc3)C4)CC6CCN(c5ccncc5)CC6 | | InChi: | InChI=1S/C30H34ClN5O5S/c31-25-3-1-24-18-27(4-2-23(24)17-25)42(39,40)35-20-28(30(38)34-13-15-41-16-14-34)36(29(37)21-35)19-22-7-11-33(12-8-22)26-5-9-32-10-6-26/h1-6,9-10,17-18,22,28H,7-8,11-16,19-21H2/t28-/m1/s1 | | Definition date: | 2001-08-01 | | Last modified: | 2011-06-04 | | Identifier: | (6R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-(morpholin-4-ylcarbonyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one |
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 | | VC3 | | Name: | 3-(4-nitrophenyl)-1H-pyrazole | | Formula: | C9 H7 N3 O2 | | SMILES: | [O-][N+](=O)c2ccc(c1nncc1)cc2 | | InChi: | InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-6-10-11-9/h1-6H,(H,10,11) | | Definition date: | 2007-09-28 | | Last modified: | 2011-06-04 | | Identifier: | 3-(4-nitrophenyl)-1H-pyrazole |
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 | | PML | | Name: | PIMELIC ACID | | Formula: | C7 H12 O4 | | SMILES: | O=C(O)CCCCCC(=O)O | | InChi: | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) | | Definition date: | 2001-12-03 | | Last modified: | 2011-06-04 | | Identifier: | heptanedioic acid |
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 | | 069 | | Name: | N,3-DIHYDROXYBENZAMIDE | | Formula: | C7 H7 N O3 | | SMILES: | O=C(c1cc(O)ccc1)NO | | InChi: | InChI=1S/C7H7NO3/c9-6-3-1-2-5(4-6)7(10)8-11/h1-4,9,11H,(H,8,10) | | Definition date: | 2009-02-02 | | Last modified: | 2011-06-04 | | Identifier: | N,3-dihydroxybenzamide |
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 | | NYA | | Name: | (1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol | | Formula: | C34 H50 O3 | | SMILES: | OC6/C(=C)C(O)CC(=CC=C2C1CCC(C1(C)CCC2)C(/C=C/C(O)C34CC5CC(C3)CC(C4)C5)C)C6 | | InChi: | InChI=1S/C34H50O3/c1-21(6-11-32(37)34-18-24-13-25(19-34)15-26(14-24)20-34)28-9-10-29-27(5-4-12-33(28,29)3)8-7-23-16-30(35)22(2)31(36)17-23/h6-8,11,21,24-26,28-32,35-37H,2,4-5,9-10,12-20H2,1,3H3/b11-6+,27-8+/t21-,24-,25+,26-,28-,29+,30-,31-,32-,33-,34-/m1/s1 | | Definition date: | 2008-05-13 | | Last modified: | 2011-06-04 | | Identifier: | (1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
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 | | XMD | | Name: | (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER | | Formula: | C28 H31 Cl N4 O5 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(C(=O)OCC)N(C(=O)C3)CC5CCN(c4ccncc4)CC5 | | InChi: | InChI=1S/C28H31ClN4O5S/c1-2-38-28(35)26-18-32(39(36,37)25-6-4-21-15-23(29)5-3-22(21)16-25)19-27(34)33(26)17-20-9-13-31(14-10-20)24-7-11-30-12-8-24/h3-8,11-12,15-16,20,26H,2,9-10,13-14,17-19H2,1H3/t26-/m1/s1 | | Definition date: | 2001-07-25 | | Last modified: | 2011-06-04 | | Identifier: | ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate |
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 | | XME | | Name: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | | Formula: | C26 H28 Cl N5 O4 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(=O)N(CC3)CC5(C=NO)CCN(c4ccncc4)CC5 | | InChi: | InChI=1S/C26H28ClN5O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)37(35,36)32-14-13-31(25(33)17-32)19-26(18-29-34)7-11-30(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,18,34H,7-8,11-14,17,19H2/b29-18+ | | Definition date: | 2001-07-25 | | Last modified: | 2011-06-04 | | Identifier: | 4-({4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)-1-pyridin-4-ylpiperidine-4-carbaldehyde oxime |
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 | | KAN | | Name: | KANAMYCIN A | | Formula: | C18 H36 N4 O11 | | SMILES: | O(C2C(O)C(OC1OC(CN)C(O)C(O)C1O)C(N)CC2N)C3OC(C(O)C(N)C3O)CO | | InChi: | InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside |
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 | | ODP | | Name: | 4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE | | Formula: | C21 H29 N7 O18 P3 | | SMILES: | NC(=O)[CH]1C=[N+](C=CC1=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H28N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)11(44-21)5-42-49(39,40)46-48(37,38)41-4-10-13(30)15(32)20(43-10)27-2-1-9(29)8(3-27)18(23)33/h1-3,6-8,10-11,13-16,20-21,30-32H,4-5H2,(H7-,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t8-,10+,11+,13+,14+,15+,16+,20+,21+/m0/s1 | | Definition date: | 2002-05-17 | | Last modified: | 2011-06-04 | | Identifier: | [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4-oxo-3H-pyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | ZP4 | | Name: | [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C20 H28 N10 O19 P4 | | SMILES: | CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O2)C(=O)NC1=O | | InChi: | InChI=1S/C20H28N10O19P4/c1-8-3-29(20(34)26-18(8)33)12-2-9(27-28-22)10(45-12)4-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-5-11-14(31)15(32)19(46-11)30-7-25-13-16(21)23-6-24-17(13)30/h3,6-7,9-12,14-15,19,31-32H,2,4-5H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,24)(H,26,33,34)/t9-,10+,11+,12+,14+,15+,19+/m0/s1 | | Definition date: | 2008-10-15 | | Last modified: | 2011-06-04 | | Identifier: | [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate |
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 | | XMF | | Name: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | | Formula: | 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 | | Definition date: | 2001-07-25 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-{[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl}piperazin-2-one |
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