 | | JZC | | Name: | (5E,9E,11E)-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime] | | Formula: | C24 H30 N2 O6 | | SMILES: | O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3cc(O)cc(O)c23 | | InChi: | InChI=1S/C24H30N2O6/c27-20-15-18-14-19(25-32-17-22(29)26-11-7-5-8-12-26)10-6-3-1-2-4-9-13-31-24(30)23(18)21(28)16-20/h2,4,6,10,15-16,27-28H,1,3,5,7-9,11-14,17H2/b4-2+,10-6+,25-19- | | Definition date: | 2009-08-14 | | Last modified: | 2011-06-04 | | Identifier: | (5E,9E,11E)-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one |
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 | | JZH | | Name: | (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one | | Formula: | C21 H15 N3 O2 | | SMILES: | O=C5Nc1ccccc1c2c3c(ncc2)ncc3C5c4ccc(O)cc4 | | InChi: | InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)/t18-/m0/s1 | | Definition date: | 2009-09-28 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one |
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 | | JZI | | Name: | (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid | | Formula: | C22 H19 N O3 | | SMILES: | O=C(O)C(NC(=O)c2ccc1c(cccc1)c2)CC=Cc3ccccc3 | | InChi: | InChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1 | | Definition date: | 2009-09-28 | | Last modified: | 2011-06-04 | | Identifier: | (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid |
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 | | JZJ | | Name: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline | | Formula: | C18 H16 Br N3 | | SMILES: | Brc1ccc(cc1)c2nc(nc2)C4NCc3ccccc3C4 | | InChi: | InChI=1S/C18H16BrN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,11,16,20H,9-10H2,(H,21,22)/t16-/m0/s1 | | Definition date: | 2009-10-05 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline |
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 | | JZM | | Name: | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine | | Formula: | C14 H11 Cl N4 S | | SMILES: | Clc3ccc(Sc2c1c(nc(nc1N)N)ccc2)cc3 | | InChi: | InChI=1S/C14H11ClN4S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19) | | Definition date: | 2009-10-29 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine |
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 | | JZN | | Name: | 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide | | Formula: | C34 H37 F4 N5 O4 | | SMILES: | Fc1cc(c(OC)cc1)C(C)(C)CC(O)(C(F)(F)F)CNc2cc(cc3c2cnn3c5cc(C(=O)N4C(C(=O)N)CCC4)ccc5)C | | InChi: | InChI=1S/C34H37F4N5O4/c1-20-13-26(40-19-33(46,34(36,37)38)18-32(2,3)25-16-22(35)10-11-29(25)47-4)24-17-41-43(28(24)14-20)23-8-5-7-21(15-23)31(45)42-12-6-9-27(42)30(39)44/h5,7-8,10-11,13-17,27,40,46H,6,9,12,18-19H2,1-4H3,(H2,39,44)/t27-,33-/m1/s1 | | Definition date: | 2009-10-19 | | Last modified: | 2011-06-04 | | Identifier: | 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide |
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 | | JZO | | Name: | 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one | | Formula: | C21 H20 N4 O2 | | SMILES: | O=C3C(=C(c1ccc2nccnc2c1)N(N3C)C)c4cccc(c4)COC | | InChi: | InChI=1S/C21H20N4O2/c1-24-20(16-7-8-17-18(12-16)23-10-9-22-17)19(21(26)25(24)2)15-6-4-5-14(11-15)13-27-3/h4-12H,13H2,1-3H3 | | Definition date: | 2009-10-22 | | Last modified: | 2011-06-04 | | Identifier: | 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-(quinoxalin-6-yl)-1,2-dihydro-3H-pyrazol-3-one |
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 | | JZS | | Name: | N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide | | Formula: | C22 H21 F6 N5 O3 | | SMILES: | C[CH](NC(=O)c1cccc(c1)n2ncc3c(NCC(O)(C(F)(F)F)C(F)(F)F)cc(C)cc23)C(N)=O | | InChi: | InChI=1S/C22H21F6N5O3/c1-11-6-16(30-10-20(36,21(23,24)25)22(26,27)28)15-9-31-33(17(15)7-11)14-5-3-4-13(8-14)19(35)32-12(2)18(29)34/h3-9,12,30,36H,10H2,1-2H3,(H2,29,34)(H,32,35)/t12-/m1/s1 | | Definition date: | 2009-11-11 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2R)-1-azanyl-1-oxo-propan-2-yl]-3-[6-methyl-4-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino]indazol-1-yl]benzamide |
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 | | JZU | | Name: | 5'-deoxy-5'-(sulfamoylamino)adenosine | | Formula: | C10 H15 N7 O5 S | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](N)(=O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C10H15N7O5S/c11-8-5-9(14-2-13-8)17(3-15-5)10-7(19)6(18)4(22-10)1-16-23(12,20)21/h2-4,6-7,10,16,18-19H,1H2,(H2,11,13,14)(H2,12,20,21)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2009-12-30 | | Last modified: | 2011-06-04 | | Identifier: | 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]purine |
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 | | JZW | | Name: | [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol | | Formula: | C23 H29 N5 O4 S2 | | SMILES: | C[S](=O)(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5cccc(CO)c5 | | InChi: | InChI=1S/C23H29N5O4S2/c1-34(30,31)28-7-5-26(6-8-28)15-19-14-20-21(33-19)23(27-9-11-32-12-10-27)25-22(24-20)18-4-2-3-17(13-18)16-29/h2-4,13-14,29H,5-12,15-16H2,1H3 | | Definition date: | 2010-01-11 | | Last modified: | 2011-06-04 | | Identifier: | [3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]phenyl]methanol |
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 | | K23 | | Name: | 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid | | Formula: | C25 H17 Cl2 N3 O2 | | SMILES: | OC(=O)c1[nH]c2cc(Cl)ccc2c1c3n(Cc4ccc(Cl)cc4)cnc3c5ccccc5 | | InChi: | InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32) | | Definition date: | 2010-01-25 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenyl-imidazol-4-yl]-1H-indole-2-carboxylic acid |
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 | | K2C | | Name: | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | | Formula: | C20 H13 N3 O | | SMILES: | O=C5c4c1c6c(nc1c3c(c2ccccc2n3)c4CN5)cccc6 | | InChi: | InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24) | | Definition date: | 2007-09-04 | | Last modified: | 2011-06-04 | | Identifier: | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one |
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 | | IOX | | Name: | phenylmethanesulfonic acid | | Formula: | C7 H8 O3 S | | SMILES: | O=S(=O)(O)Cc1ccccc1 | | InChi: | InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10) | | Definition date: | 2009-08-24 | | Last modified: | 2010-06-23 | | Identifier: | phenylmethanesulfonic acid |
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 | | DRT | | Name: | 2'-DEOXY-L-RIBO-FURANOSYL THYMINE-5'-MONOPHOSPHATE | | Formula: | C10 H15 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O | | InChi: | InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1 | | Definition date: | 2000-09-27 | | Last modified: | 2010-03-30 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | HDP | | Name: | [(1S,6S)-6-HYDROXY-4-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C12 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O | | InChi: | InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1 | | Definition date: | 2004-07-22 | | Last modified: | 2010-03-30 | | Identifier: | [(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate |
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 | | 6MC | | Name: | CIS-N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C11 H16 N5 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O | | InChi: | InChI=1S/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1 | | Definition date: | 2003-03-19 | | Last modified: | 2010-03-29 | | Identifier: | 2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate) |
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 | | PG7 | | Name: | ((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1O)N)CC3O | | InChi: | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Definition date: | 2005-07-11 | | Last modified: | 2010-03-18 | | Identifier: | 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol |
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 | | INT | | Name: | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-VALINYL-[PHENYL-1-HYDROXYPROP-2-YL]-AMINE | | Formula: | C25 H33 N3 O5 | | SMILES: | O=C(NC(Cc1ccccc1)CO)C(NC(=O)C(NC(=O)OCc2ccccc2)C)C(C)C | | InChi: | InChI=1/C25H33N3O5/c1-17(2)22(24(31)27-21(15-29)14-19-10-6-4-7-11-19)28-23(30)18(3)26-25(32)33-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,29H,14-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-,22-/m0/s1/f/h26-28H | | Synonyms: | TL-3-093 | | Definition date: | 1999-07-08 | | Last modified: | 2009-12-09 | | Identifier: | N-[(benzyloxy)carbonyl]-L-alanyl-N-[(1S)-1-benzyl-2-hydroxyethyl]-L-valinamide |
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 | | 6MT | | Name: | TRANS-N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C11 H16 N5 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O | | InChi: | InChI=1/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1/f/h12,18-19H | | Definition date: | 2003-03-19 | | Last modified: | 2009-10-20 | | Identifier: | 2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate) |
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 | | I5C | | Name: | 5-IODO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H13 I N3 O7 P | | SMILES: | IC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N | | InChi: | InChI=1/C9H13IN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1/f/h16-17H,11H2 | | Definition date: | 2003-07-16 | | Last modified: | 2009-10-06 | | Identifier: | 2'-deoxy-5-iodocytidine 5'-(dihydrogen phosphate) |
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 | | 6CT | | Name: | PHOSPHORIC ACID MONO-[5-HYDROXYMETHYL-2-METHYL-3-THYMINYL-CYCLOPENTYLMETHYL]ESTER GROUP | | Formula: | C12 H19 N2 O7 P | | SMILES: | O=P(O)(O)OCC2C(C(N1C=C(C(=O)NC1=O)C)CC2O)C | | InChi: | InChI=1/C12H19N2O7P/c1-6-4-14(12(17)13-11(6)16)9-3-10(15)8(7(9)2)5-21-22(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m0/s1/f/h13,18-19H | | Definition date: | 1999-07-08 | | Last modified: | 2009-09-15 | | Identifier: | [(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate |
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 | | HSU | | Name: | beta-D-ribofuranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(OC(O)C1O)CO | | InChi: | InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1 | | Definition date: | 2009-01-16 | | Last modified: | 2009-09-15 | | Identifier: | beta-D-ribofuranose |
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 | | HSZ | | Name: | beta-D-xylopyranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1 | | Definition date: | 2009-01-16 | | Last modified: | 2009-09-15 | | Identifier: | beta-D-xylopyranose |
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 | | 0AL | | Name: | 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose | | Formula: | C7 H15 O10 P | | SMILES: | O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO | | InChi: | InChI=1/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1/f/h13-14H | | Definition date: | 2007-11-11 | | Last modified: | 2009-09-10 | | Identifier: | 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
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 | | B1P | | Name: | 2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSE | | Formula: | C5 H11 O7 P | | SMILES: | O=P(OCC1OC(O)CC1O)(O)O | | InChi: | InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1/f/h8-9H | | Synonyms: | ABASIC DEOXYRIBOSE | | Definition date: | 2006-08-03 | | Last modified: | 2009-09-10 | | Identifier: | 2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose |
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