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HOP
HOP
表記:(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL
組成式:C23 H27 N O4
SMILES:O=C(O)CCCNC(=O)c1ccc(cc1)C3CCC(c2ccccc2)CC3O
InChi:InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1
別名:OXY-COPE-HAPTEN
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:4-[({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}carbonyl)amino]butanoic acid
HP1
HP1
表記:~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
組成式:C31 H41 N11 O6
SMILES:CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3n(C)cc(NC(=O)c4nccn4C)c3O)cn2C)cn1C
InChi:InChI=1S/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-29(46)23-15-20(17-41(23)5)36-30(47)25-26(44)21(18-42(25)6)37-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,46)(H,36,47)(H,37,48)
別名:IMIDAZOLE-HYDROXYPYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
HP2
HP2
表記:HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE
組成式:C31 H41 N11 O6
SMILES:O=C(Nc3cc(C(=O)Nc2c(O)c(C(=O)Nc1cc(C(=O)NCCC(=O)NCCCN(C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C
InChi:InChI=1S/C31H41N11O6/c1-38(2)12-7-9-32-24(43)8-10-34-28(45)22-14-19(16-40(22)4)35-30(47)25-26(44)21(18-42(25)6)37-29(46)23-15-20(17-41(23)5)36-31(48)27-33-11-13-39(27)3/h11,13-18,44H,7-10,12H2,1-6H3,(H,32,43)(H,34,45)(H,35,47)(H,36,48)(H,37,46)
別名:IMIDAZOLE-PYRROLE-HYDROXYPYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
定義日:2000-07-25
最終更新日:2021-03-01
識別子（ID）:N-(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-4-hydroxy-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-imidazole-2-carboxamide
HRO
HRO
表記:5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
組成式:C5 H3 Cl N2 O4
SMILES:O=C1NC(C(=O)O)=C(Cl)C(=O)N1
InChi:InChI=1S/C5H3ClN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
別名:5-Chloroorotic acid
定義日:2012-11-19
最終更新日:2021-03-01
公開日:2013-11-20
識別子（ID）:5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
HS3
HS3
表記:(2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide
組成式:C10 H12 N2 O6 S
SMILES:O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO
InChi:InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1
別名:(R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
定義日:2008-11-04
最終更新日:2021-03-01
識別子（ID）:N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide
HS9
HS9
表記:N-ALPHA-METHYL-L-HISTIDINAMIDE
組成式:C7 H12 N4 O
SMILES:O=C(N)C(NC)Cc1ncnc1
InChi:InChI=1S/C7H12N4O/c1-9-6(7(8)12)2-5-3-10-4-11-5/h3-4,6,9H,2H2,1H3,(H2,8,12)(H,10,11)/t6-/m0/s1
別名:N-METHYL-L-HISTIDINAMIDE
定義日:2009-09-02
最終更新日:2021-03-01
識別子（ID）:Nalpha-methyl-L-histidinamide
HSI
HSI
表記:(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID
組成式:C24 H25 Cl O3
SMILES:Clc2ccc(C#Cc1ccc(C(=O)C(CC(=O)O)CCCCCC)cc1)cc2
InChi:InChI=1S/C24H25ClO3/c1-2-3-4-5-6-21(17-23(26)27)24(28)20-13-9-18(10-14-20)7-8-19-11-15-22(25)16-12-19/h9-16,21H,2-6,17H2,1H3,(H,26,27)/t21-/m1/s1
別名:(4-(4-(2-(4-CHLOROPHENYL)ETHYNYL)PHENYL))-3-HEXYL-4-OXOBUTANOIC ACID
定義日:2007-05-23
最終更新日:2021-03-01
識別子（ID）:(3R)-3-({4-[(4-chlorophenyl)ethynyl]phenyl}carbonyl)nonanoic acid
HT1
HT1
表記:2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
組成式:C27 H28 N6 O
SMILES:O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6)CC
InChi:InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)
別名:HOECHST 33342
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:2'-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole
HT6
HT6
表記:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol
組成式:C18 H29 N5 O S
SMILES:OC1C(CSCCCCCC)CN(C1)Cc2cnc3c2ncnc3N
InChi:InChI=1S/C18H29N5OS/c1-2-3-4-5-6-25-11-14-9-23(10-15(14)24)8-13-7-20-17-16(13)21-12-22-18(17)19/h7,12,14-15,20,24H,2-6,8-11H2,1H3,(H2,19,21,22)/t14-,15+/m1/s1
別名:Hexylthio-DADMe-Immucillin-A
定義日:2017-09-11
最終更新日:2021-03-01
公開日:2018-09-12
識別子（ID）:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol
HTQ
HTQ
表記:HOMOTROPINE
組成式:C16 H21 N O3
SMILES:O=C(OC2CC1N(C)C(CC1)C2)C(O)c3ccccc3
InChi:InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14-,15-/m1/s1
別名:HYDROXY-PHENYL-ACETIC ACID 8-METHYL-8-AZA-BICYCLO[3.2.1]OCT-3-YL ESTER
定義日:2002-10-24
最終更新日:2021-03-01
識別子（ID）:(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-hydroxy(phenyl)ethanoate
HTS
HTS
表記:2-MERCAPTOPHENOL
組成式:C6 H6 O S
SMILES:c1c(c(ccc1)S)O
InChi:InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
別名:2-HYDROXYTHIOPHENOL
定義日:2007-02-27
最終更新日:2021-03-01
識別子（ID）:2-sulfanylphenol
HTX
HTX
表記:heptan-2-one
組成式:C7 H14 O
SMILES:CCCCCC(C)=O
InChi:InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
別名:2-heptanone
定義日:2009-11-05
最終更新日:2021-03-01
識別子（ID）:heptan-2-one
HWU
HWU
表記:(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C17 H27 N3 O16 P2 S
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3SC(C(O)C(O)C3NC(=O)C)CO)O)O
InChi:InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)12(25)8(4-21)39-16(10)35-38(31,32)36-37(29,30)33-5-7-11(24)14(27)15(34-7)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12+,13-,14-,15-,16?/m1/s1
別名:URIDINE DIPHOSPHO-5-THIO-N-ACETYLGALACTOSAMINE
定義日:2014-04-30
最終更新日:2021-03-01
公開日:2014-05-28
識別子（ID）:(2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
HXD
HXD
表記:(3R)-3-HYDROXYDODECANOIC ACID
組成式:C12 H24 O3
SMILES:O=C(O)CC(O)CCCCCCCCC
InChi:InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
別名:3-OH-DODECANOATE
定義日:2006-01-31
最終更新日:2021-03-01
識別子（ID）:(3R)-3-hydroxydodecanoic acid
HXK
HXK
表記:2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid
組成式:C22 H28 O4 S
SMILES:O=C(O)c2ccccc2SCc1cc(O)cc(OCCCCCCCC)c1
InChi:InChI=1S/C22H28O4S/c1-2-3-4-5-6-9-12-26-19-14-17(13-18(23)15-19)16-27-21-11-8-7-10-20(21)22(24)25/h7-8,10-11,13-15,23H,2-6,9,12,16H2,1H3,(H,24,25)
別名:BPH-1182
定義日:2011-06-17
最終更新日:2021-03-01
公開日:2016-09-07
識別子（ID）:2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid
HXT
HXT
表記:2-hydroxy-1-phenylethanone
組成式:C8 H8 O2
SMILES:O=C(c1ccccc1)CO
InChi:InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
別名:2-Hydroxyacetophenone
定義日:2013-12-26
最終更新日:2021-03-01
公開日:2014-07-16
識別子（ID）:2-hydroxy-1-phenylethanone
HYF
HYF
表記:4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
組成式:C35 H52 O4
SMILES:O=C1C2(C(O)=C(C(=O)C1(CC(CC=C(/C)C)C2(C)CCC=C(/C)C)CC=C(/C)C)CC=C(/C)C)C(=O)C(C)C
InChi:InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33-,34-,35+/m1/s1
別名:HYPERFORIN
定義日:2002-06-25
最終更新日:2021-03-01
識別子（ID）:(1R,5S,6R,7R)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
198
198
表記:R-BICALUTAMIDE
組成式:C18 H14 F4 N2 O4 S
SMILES:O=C(Nc1cc(c(C#N)cc1)C(F)(F)F)C(O)(C)CS(=O)(=O)c2ccc(F)cc2
InChi:InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1
別名:(2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE
定義日:2005-04-07
最終更新日:2021-03-01
識別子（ID）:(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
8SU
8SU
表記:(~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid
組成式:C20 H30 O4
SMILES:CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CC=CCCCC(O)=O
InChi:InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
別名:PROSTAGLANDIN A2 (PGA2)
定義日:2017-09-12
最終更新日:2021-03-01
公開日:2019-03-27
識別子（ID）:(~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid
1AL
1AL
表記:ALLANTOATE ION
組成式:C4 H7 N4 O4
SMILES:O=C(NC(C([O-])=O)NC(=O)N)N
InChi:InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1
別名:DIUREIDO-ACETATE
定義日:2005-03-16
最終更新日:2021-03-01
識別子（ID）:bis(carbamoylamino)acetate
1AU
1AU
表記:1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
組成式:C24 H25 N5 O
SMILES:O=C(Nc2c1ccccc1ccc2)Nc4cc(nn4c3cc(ccc3)N)C(C)(C)C
InChi:InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)
別名:1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-naphthalen-1-yl-urea
定義日:2008-11-05
最終更新日:2021-03-01
識別子（ID）:1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
1BN
1BN
表記:1-BENZYL-1H-IMIDAZOLE
組成式:C10 H10 N2
SMILES:n1ccn(c1)Cc2ccccc2
InChi:InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
別名:1-BENZYLIMIDAZOLE
定義日:2005-08-01
最終更新日:2021-03-01
識別子（ID）:1-benzyl-1H-imidazole
1BU
1BU
表記:1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
組成式:C29 H30 N8 O
SMILES:O=C(Nc3ccc(Nc2ncnc1c2cc(N)cc1)cc3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C
InChi:InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
別名:1-[4-(6-Amino-quinazolin-4-ylamino)-phenyl]-3-(5-tert-butyl-2-m-tolyl-2H-pyrazol-3-yl)-urea
定義日:2008-11-05
最終更新日:2021-03-01
識別子（ID）:1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
8UX
8UX
表記:(2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
組成式:C13 H20 N4 O6
SMILES:C[CH](N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O)C(O)=O
InChi:InChI=1S/C13H20N4O6/c1-7(11(18)19)17-9(12(20)21)2-3-15-10(13(22)23)4-8-5-14-6-16-8/h5-7,9-10,15,17H,2-4H2,1H3,(H,14,16)(H,18,19)(H,20,21)(H,22,23)/t7-,9-,10+/m0/s1
別名:staphylopine
定義日:2017-09-28
最終更新日:2021-03-01
公開日:2018-03-28
識別子（ID）:(2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
1CY
1CY
表記:1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
組成式:C11 H14 Cl N5
SMILES:Clc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
InChi:InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
別名:Cycloguanil
定義日:2009-08-25
最終更新日:2021-03-01
識別子（ID）:1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

223790

件を2024-08-14に公開中

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