 | | 5JJ | | Name: | N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine | | Formula: | C20 H17 Cl2 N3 | | SMILES: | c1cc(N)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)CC#CCC | | InChi: | InChI=1S/C20H17Cl2N3/c1-2-3-4-12-25(20-16(21)6-5-7-17(20)22)14-8-9-19-15(13-14)18(23)10-11-24-19/h5-11,13H,2,12H2,1H3,(H2,23,24) | | Definition date: | 2015-10-02 | | Last modified: | 2017-03-17 | | Release date: | 2017-03-22 | | Identifier: | N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine |
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 | | 69J | | Name: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol | | Formula: | C14 H12 F N O4 | | SMILES: | [O-][N+](=O)c1ccccc1Oc2cc(F)c(cc2O)CC | | InChi: | InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3 | | Definition date: | 2016-02-21 | | Last modified: | 2017-02-17 | | Release date: | 2017-02-22 | | Identifier: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol |
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 | | 7EL | | Name: | 2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol | | Formula: | C13 H10 Cl N O3 | | SMILES: | Oc2ccc(c1c(c(O)c([C@H]=NO)cc1)Cl)cc2 | | InChi: | InChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-7,16-18H/b15-7+ | | Definition date: | 2016-10-14 | | Last modified: | 2017-01-13 | | Release date: | 2017-01-18 | | Identifier: | 2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol |
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 | | 483 | | Name: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide | | Formula: | C12 H19 N3 O | | SMILES: | O=C(NC1CCC(C)CC1)Cn2ccnc2 | | InChi: | InChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16)/t10-,11- | | Definition date: | 2015-02-11 | | Last modified: | 2016-02-26 | | Release date: | 2016-03-02 | | Identifier: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide |
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 | | G5A | | Name: | 5'-O-(glycylsulfamoyl)adenosine | | Formula: | C12 H17 N7 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CN | | InChi: | InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1 | | Definition date: | 2009-08-03 | | Last modified: | 2013-06-07 | | Identifier: | 5'-O-(glycylsulfamoyl)adenosine |
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 | | HFV | | Name: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE | | Formula: | C14 H19 F6 N3 O6 S | | SMILES: | O=C(NC(C(=O)O)C(C(F)(F)F)C(F)(F)F)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H19F6N3O6S/c15-13(16,17)9(14(18,19)20)8(12(28)29)23-10(25)6(4-30)22-7(24)3-1-2-5(21)11(26)27/h5-6,8-9,30H,1-4,21H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t5-,6-,8-/m0/s1 | | Definition date: | 2005-06-09 | | Last modified: | 2011-06-04 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-4,4,4,4',4',4'-hexafluoro-L-valine |
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 | | ESO | | Name: | O3-PHOSPHONOESTRONE | | Formula: | C18 H23 O5 P | | SMILES: | O=P(O)(O)Oc1cc4c(cc1)C3CCC2(C(=O)CCC2C3CC4)C | | InChi: | InChI=1S/C18H23O5P/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,18+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 17-oxoestra-1,3,5(10)-trien-3-yl dihydrogen phosphate |
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 | | 5IU | | Name: | 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H12 I N2 O8 P | | SMILES: | IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate) |
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 | | DPZ | | Name: | 3,5-DIAMINOPHTHALHYDRAZIDE | | Formula: | C8 H8 N4 O2 | | SMILES: | O=C2c1c(cc(cc1N)N)C(=O)NN2 | | InChi: | InChI=1S/C8H8N4O2/c9-3-1-4-6(5(10)2-3)8(14)12-11-7(4)13/h1-2H,9-10H2,(H,11,13)(H,12,14) | | Definition date: | 2000-06-06 | | Last modified: | 2011-06-04 | | Identifier: | 5,7-diamino-2,3-dihydrophthalazine-1,4-dione |
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 | | DRV | | Name: | [(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate | | Formula: | C12 H17 N7 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CN | | InChi: | InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9+,12+/m0/s1 | | Definition date: | 2008-09-25 | | Last modified: | 2011-06-04 | | Identifier: | [(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate |
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 | | MT5 | | Name: | N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM | | Formula: | C15 H30 N3 O4 | | SMILES: | OC2C1N(C(/NC1)=[NH+]CCCCCCCC)C(O)C(O)C2O | | InChi: | InChI=1S/C15H29N3O4/c1-2-3-4-5-6-7-8-16-15-17-9-10-11(19)12(20)13(21)14(22)18(10)15/h10-14,19-22H,2-9H2,1H3,(H,16,17)/p+1/t10-,11-,12+,13-,14-/m1/s1 | | Definition date: | 2009-03-23 | | Last modified: | 2011-06-04 | | Identifier: | N-[(3E,5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2H)-ylidene]octan-1-aminium |
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 | | BRZ | | Name: | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE | | Formula: | C19 H22 O4 | | SMILES: | O=C3Oc2cc1OC(Cc1cc2C=C3C(C=C)(C)C)C(O)(C)C | | InChi: | InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1 | | Definition date: | 2001-10-16 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-6-(1,1-dimethylprop-2-en-1-yl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
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 | | 8AN | | Name: | 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) | | Formula: | C10 H15 N6 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3N | | InChi: | InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1 | | Definition date: | 2008-03-27 | | Last modified: | 2011-06-04 | | Identifier: | 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate) |
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 | | DLL | | Name: | 5'-O-[HYDROXY(PHENYLACETYL)PHOSPHORYL]ADENOSINE | | Formula: | C18 H20 N5 O8 P | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)Cc4ccccc4)[CH](O)[CH]3O | | InChi: | InChI=1S/C18H20N5O8P/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)6-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,18,25-26H,6-7H2,(H,27,28)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1 | | Definition date: | 2010-12-15 | | Last modified: | 2011-06-04 | | Identifier: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 2-phenylethanoate |
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 | | 5IT | | Name: | 5-IODO-THYMIDINE-5'-PHOSPHATE | | Formula: | C9 H12 I N2 O8 P | | SMILES: | IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1/f/h11,16-17H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | 2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate) |
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