 | | 3NU | | Name: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine | | Formula: | C16 H24 N6 | | SMILES: | n2c(c1cnnc1C(C)C)ccnc2NC3CCN(C)CC3 | | InChi: | InChI=1S/C16H24N6/c1-11(2)15-13(10-18-21-15)14-4-7-17-16(20-14)19-12-5-8-22(3)9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20) | | Synonyms: | 4-(3-isopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine | | Definition date: | 2010-07-09 | | Last modified: | 2020-06-17 | | Identifier: | N-(1-methylpiperidin-4-yl)-4-[3-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine |
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 | | 3NV | | Name: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine | | Formula: | C19 H23 Cl N8 | | SMILES: | Clc4c(c1nc(ncc1)Nc3ncc(N2CCNCC2)cc3)c(nn4)C(C)C | | InChi: | InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25) | | Synonyms: | 4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | | Definition date: | 2010-07-09 | | Last modified: | 2020-06-17 | | Identifier: | 4-[5-chloro-3-(propan-2-yl)-1H-pyrazol-4-yl]-N-[5-(piperazin-1-yl)pyridin-2-yl]pyrimidin-2-amine |
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 | | HMX | | Name: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide | | Formula: | C12 H18 Cl N7 O | | SMILES: | NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 | | InChi: | InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21) | | Synonyms: | HMA | | Definition date: | 2018-02-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide |
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 | | HN5 | | Name: | (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol | | Formula: | C20 H31 N O3 | | SMILES: | OC1CCC(N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C | | InChi: | InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16+,17+,18+,19+/m0/s1 | | Synonyms: | (1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine | | Definition date: | 2008-09-25 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol |
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 | | HN7 | | Name: | 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone | | Formula: | C20 H29 N O4 | | SMILES: | O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(O)C(O)C3 | | InChi: | InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15+,17+,18+,19+/m0/s1 | | Synonyms: | (1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine | | Definition date: | 2008-09-25 | | Last modified: | 2020-06-17 | | Identifier: | 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone |
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 | | HN8 | | Name: | Haemanthamine | | Formula: | C17 H19 N O4 | | SMILES: | CO[CH]1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5cc4C3 | | InChi: | InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1 | | Synonyms: | Haemanthamin | | Definition date: | 2017-08-03 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-28 |
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 | | 3OG | | Name: | (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate | | Formula: | C18 H32 O4 | | SMILES: | O=C1OC(C(OC(=O)C)CCCCCCCCCC)CCC1 | | InChi: | InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3/t16-,17+/m0/s1 | | Synonyms: | (5R,6S)-6-acetoy-5-hexadecanolide | | Definition date: | 2010-08-24 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate |
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 | | HNQ | | Name: | 5-nitroquinolin-8-ol | | Formula: | C9 H6 N2 O3 | | SMILES: | [O-][N+](=O)c1ccc(O)c2ncccc12 | | InChi: | InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H | | Synonyms: | NITROXOLINE | | Definition date: | 2010-05-26 | | Last modified: | 2020-06-17 | | Identifier: | 5-nitroquinolin-8-ol |
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 | | 3P7 | | Name: | (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3
-oxazine-4-carboxylic acid | | Formula: | C18 H18 N2 O9 | | SMILES: | O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O | | InChi: | InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17-,18+/m1/s1 | | Synonyms: | MOXALACTAM DERIVATIVE (open form) | | Definition date: | 2014-10-01 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-15 | | Identifier: | (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
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 | | 3PD | | Name: | 2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)CO | | InChi: | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Synonyms: | 2'-DEOXYGUANOSINE-3'-MONOPHOSPHATE | | Definition date: | 2006-04-14 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-3'-guanylic acid |
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 | | 3PH | | Name: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE | | Formula: | C39 H77 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O | | InChi: | InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1 | | Synonyms: | PHOSPHATIDIC ACID | | Definition date: | 2003-07-09 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate |
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 | | HP8 | | Name: | 5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine | | Formula: | C17 H18 N6 O9 S | | SMILES: | O=C(c1cccc(O)c1O)NS(=O)(=O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C17H18N6O9S/c18-14-10-15(20-5-19-14)23(6-21-10)17-13(27)12(26)9(32-17)4-31-33(29,30)22-16(28)7-2-1-3-8(24)11(7)25/h1-3,5-6,9,12-13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)/t9-,12-,13-,17-/m1/s1 | | Synonyms: | 5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine | | Definition date: | 2010-08-03 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(2,3-dihydroxybenzoyl)sulfamoyl]adenosine |
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 | | 3QB | | Name: | LINCOMYCIN | | Formula: | C18 H34 N2 O6 S | | SMILES: | O=C(NC(C1OC(SC)C(O)C(O)C1O)C(O)C)C2N(C)CC(CCC)C2 | | InChi: | InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | | Synonyms: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside | | Definition date: | 2014-10-07 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-05 | | Identifier: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside |
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 | | 3RD | | Name: | 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid | | Formula: | C15 H14 N3 O8 P | | SMILES: | O=C(O)c2ccc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc2 | | InChi: | InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)/b18-17+ | | Synonyms: | FOBISIN101 | | Definition date: | 2011-05-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid |
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 | | HQI | | Name: | N-(8-hydroxyquinolin-5-yl)acetamide | | Formula: | C11 H10 N2 O2 | | SMILES: | CC(=O)Nc1ccc(O)c2ncccc12 | | InChi: | InChI=1S/C11H10N2O2/c1-7(14)13-9-4-5-10(15)11-8(9)3-2-6-12-11/h2-6,15H,1H3,(H,13,14) | | Synonyms: | 8-hydroxyquinoline | | Definition date: | 2010-01-19 | | Last modified: | 2020-06-17 | | Identifier: | N-(8-hydroxyquinolin-5-yl)ethanamide |
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 | | HQL | | Name: | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE | | Formula: | C22 H27 N5 O | | SMILES: | O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26) | | Synonyms: | HQL-79 | | Definition date: | 2005-06-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine |
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 | | 3TA | | Name: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi
one | | Formula: | C23 H25 Cl N6 S | | SMILES: | Clc4cc2c(c1nc(ncc1CC(=S)N2)Nc3cc(cnc3C)CCCN(C)C)cc4 | | InChi: | InChI=1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29) | | Synonyms: | MLN0905 | | Definition date: | 2011-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione |
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 | | HS6 | | Name: | 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide | | Formula: | C8 H7 F N2 O4 S | | SMILES: | O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O | | InChi: | InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2 | | Synonyms: | 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide |
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 | | HS7 | | Name: | N-oxo-2-(phenylsulfonylamino)ethanamide | | Formula: | C8 H8 N2 O4 S | | SMILES: | O=S(=O)(NCC(=O)N=O)c1ccccc1 | | InChi: | InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2 | | Synonyms: | N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2020-06-17 | | Identifier: | N-oxo-N~2~-(phenylsulfonyl)glycinamide |
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 | | 3TC | | Name: | 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE | | Formula: | C8 H11 N3 O3 S | | SMILES: | O=C1N=C(N)C=CN1C2OC(SC2)CO | | InChi: | InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 | | Synonyms: | (-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE | | Definition date: | 2006-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one |
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 | | HSS | | Name: | 5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE | | Formula: | C16 H21 N9 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4 | | InChi: | InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1 | | Synonyms: | 5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE | | Definition date: | 2007-05-25 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-histidylsulfamoyl)adenosine |
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 | | HT | | Name: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | | Formula: | C25 H24 N6 O | | SMILES: | Oc1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6 | | InChi: | InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29) | | Synonyms: | HOECHST 33258 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-[6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazol-2'-yl]phenol |
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 | | HT2 | | Name: | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE | | Formula: | C22 H18 N8 | | SMILES: | [N@H]=C(N)c1ccc(cc1)c5nc4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4n5 | | InChi: | InChI=1S/C22H18N8/c23-19(24)11-1-3-12(4-2-11)21-27-16-8-6-14(10-18(16)29-21)22-28-15-7-5-13(20(25)26)9-17(15)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30) | | Synonyms: | BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide |
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 | | HTF | | Name: | N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE | | Formula: | C12 H21 N O3 | | SMILES: | O=C1OCCC1NC(=O)CCCCCCC | | InChi: | InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1 | | Synonyms: | N-OCTANOYL-L-HOMOSERINE LACTONE | | Definition date: | 2005-09-14 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide |
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 | | HTL | | Name: | 2-ACETYL-THIAMINE DIPHOSPHATE | | Formula: | C14 H21 N4 O8 P2 S | | SMILES: | O=C(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)C | | InChi: | InChI=1S/C14H20N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1 | | Synonyms: | 2-ACETYL-3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-4-METHYL-5-(4,6,6-TRIHYDROXY-3,5-DIOXA-4,6-DIPHOSPHAHEX-1-YL)THIAZO
LIUM INNER SALT P,P'-DIOXIDE | | Definition date: | 2001-11-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-acetyl-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
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