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HCV
HCV
表記:N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine
組成式:C15 H27 N3 O6 S
SMILES:O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS
InChi:InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1
別名:Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine
定義日:2013-01-24
最終更新日:2020-06-17
公開日:2013-02-01
識別子（ID）:N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine
HDV
HDV
表記:9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine
組成式:C11 H17 F N5 O12 P3
SMILES:O=P(OCC1OC(C(C1O)F)n3c2c(c(nc(n2)C)N)nc3)(O)OP(OP(O)(=O)O)(O)=O
InChi:InChI=1S/C11H17FN5O12P3/c1-4-15-9(13)7-10(16-4)17(3-14-7)11-6(12)8(18)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,8,11,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/t5-,6+,8-,11-/m1/s1
別名:Clofarabine-TRIPHOSPHATE
定義日:2018-06-27
最終更新日:2020-06-17
公開日:2018-10-10
識別子（ID）:9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-methyl-9H-purin-6-amine
HFD
HFD
表記:2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine
組成式:C10 H15 F N5 O13 P3
SMILES:O=P(OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)OP(OP(O)(O)=O)(O)=O
InChi:InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1
別名:Fludarabine-TRIPHOSPHATE
定義日:2018-06-27
最終更新日:2020-06-17
公開日:2018-10-10
識別子（ID）:2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
HFS
HFS
表記:1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE
組成式:C14 H17 N3 O3 S
SMILES:O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3
InChi:InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
別名:HYDROXYFASUDIL
定義日:2005-10-26
最終更新日:2020-06-17
識別子（ID）:5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol
HG1
HG1
表記:1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol
組成式:C18 H35 N O7
SMILES:O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1
InChi:InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1
別名:C-HEGA-10
定義日:2013-10-16
最終更新日:2020-06-17
公開日:2013-12-11
識別子（ID）:1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol
HGD
HGD
表記:mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
組成式:C20 H32 Hg N6 O12 S2
SMILES:O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
InChi:InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16
別名:S-Mercury glutathione
定義日:2013-10-31
最終更新日:2020-06-17
公開日:2014-03-19
識別子（ID）:mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
HH3
HH3
表記:(2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid
組成式:C9 H9 N O4
SMILES:O=C(NC(O)C(=O)O)c1ccccc1
InChi:InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)/t8-/m0/s1
別名:alpha-hydroxyhippuric acid
定義日:2009-01-26
最終更新日:2020-06-17
識別子（ID）:(2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid
HI6
HI6
表記:4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM
組成式:C14 H16 N4 O3
SMILES:O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2C=NO
InChi:InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2
別名:1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER
定義日:2006-05-15
最終更新日:2020-06-17
識別子（ID）:4-carbamoyl-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium
HJ7
HJ7
表記:(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
組成式:C7 H6 O7
SMILES:C(C=C(CC(O)=O)C(O)=O)(=O)C(O)=O
InChi:InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1-
別名:(3Z)-2-keto-4-carboxy-3-hexenedioate
定義日:2018-07-03
最終更新日:2020-06-17
公開日:2018-09-26
識別子（ID）:(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
HKG
HKG
表記:1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one
組成式:C25 H25 N7 O2 S2
SMILES:c4(nc(Nc1ncc(cc1Oc2c(nccc2)C)Sc3ccccn3)sn4)C5CCN(CC5)C(C)=O
InChi:InChI=1S/C25H25N7O2S2/c1-16-20(6-5-11-26-16)34-21-14-19(35-22-7-3-4-10-27-22)15-28-24(21)30-25-29-23(31-36-25)18-8-12-32(13-9-18)17(2)33/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,28,29,30,31)
別名:AR453588
定義日:2018-07-09
最終更新日:2020-06-17
公開日:2019-07-10
識別子（ID）:1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1-yl}ethan-1-one
HKT
HKT
表記:1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine
組成式:C17 H16 F N3 O2 S
SMILES:CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3
InChi:InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
別名:Vonoprazan
定義日:2017-10-20
最終更新日:2020-06-17
公開日:2018-04-11
識別子（ID）:1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine
HL4
HL4
表記:N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
組成式:C8 H13 N O3
SMILES:O=C1OCCC1NC(=O)CCC
InChi:InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
別名:N-butyryl-L-homoserine lactone
定義日:2010-09-06
最終更新日:2020-06-17
識別子（ID）:N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
HMX
HMX
表記:3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
組成式: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)
別名:HMA
定義日:2018-02-15
最終更新日:2020-06-17
公開日:2018-12-19
識別子（ID）:3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
HN5
HN5
表記:(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
組成式: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
別名:(1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
定義日:2008-09-25
最終更新日:2020-06-17
識別子（ID）:(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
HN7
HN7
表記:1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
組成式: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
別名:(1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
定義日:2008-09-25
最終更新日:2020-06-17
識別子（ID）:1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
HN8
HN8
表記:Haemanthamine
組成式: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
別名:Haemanthamin
定義日:2017-08-03
最終更新日:2020-06-17
公開日:2018-02-28
HNG
HNG
表記:2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
組成式:C7 H9 N5 O
SMILES:N2=C(Nc1ncc(c1C2=O)CN)N
InChi:InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
別名:PreQ1
定義日:2018-07-12
最終更新日:2020-06-17
公開日:2019-04-10
識別子（ID）:2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
HNQ
HNQ
表記:5-nitroquinolin-8-ol
組成式: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
別名:NITROXOLINE
定義日:2010-05-26
最終更新日:2020-06-17
識別子（ID）:5-nitroquinolin-8-ol
HP4
HP4
表記:phosphinate
組成式:H2 O2 P
SMILES:[O-][PH2]=O
InChi:InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)/p-1
別名:Hypophosphite
定義日:2016-11-14
最終更新日:2020-06-17
公開日:2017-11-29
識別子（ID）:phosphinate
HP8
HP8
表記:5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine
組成式: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
別名:5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine
定義日:2010-08-03
最終更新日:2020-06-17
識別子（ID）:5'-O-[(2,3-dihydroxybenzoyl)sulfamoyl]adenosine
HQL
HQL
表記:4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE
組成式: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)
別名:HQL-79
定義日:2005-06-15
最終更新日:2020-06-17
識別子（ID）:4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine
HS6
HS6
表記:2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide
組成式: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
別名:4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
定義日:2008-11-04
最終更新日:2020-06-17
識別子（ID）:N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide
HS7
HS7
表記:N-oxo-2-(phenylsulfonylamino)ethanamide
組成式: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
別名:N-(2-nitroso-2-oxoethyl)benzenesulfonamide
定義日:2008-11-04
最終更新日:2020-06-17
識別子（ID）:N-oxo-N~2~-(phenylsulfonyl)glycinamide
HSS
HSS
表記:5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE
組成式: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
別名:5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE
定義日:2007-05-25
最終更新日:2020-06-17
識別子（ID）:5'-O-(L-histidylsulfamoyl)adenosine
HT2
HT2
表記:5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE
組成式: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)
別名:BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide

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