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HMD
HMD
Name:4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE
Formula:C11 H10 Br N5 O2
SMILES:O=C1N=C(N=C1C3CCNC(=O)C2=NC(Br)=CC23)N
InChi:InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1
Synonyms:HYMENIALDISINE
Definition date:1999-12-16
Last modified:2021-03-01
Identifier:(3aR,4S)-4-(2-amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-one
KWM
KWM
Name:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Formula:C36 H49 N9 O16 P2
SMILES:O=C1NC(=O)NCN(c3c(NC(CC(C1)c2ccccc2)O)cc(C)c(C)c3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(C4O)O)n5cnc6c5ncnc6N
InChi:InChI=1S/C36H49N9O16P2/c1-18-8-22-23(9-19(18)2)44(16-41-36(53)43-28(49)11-21(10-27(48)42-22)20-6-4-3-5-7-20)12-24(46)30(50)25(47)13-58-62(54,55)61-63(56,57)59-14-26-31(51)32(52)35(60-26)45-17-40-29-33(37)38-15-39-34(29)45/h3-9,15,17,21,24-27,30-32,35,42,46-48,50-52H,10-14,16H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,43,49,53)/t21-,24-,25+,26+,27+,30-,31+,32+,35+/m0/s1
Synonyms:GSK2879552
Definition date:2019-01-22
Last modified:2021-03-01
Release date:2019-02-13
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(8S,10R)-10-hydroxy-13,14-dimethyl-4,6-dioxo-8-phenyl-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,3,5,11-benzotetraazacyclotridecin-1-yl]pentyl dihydrogen diphosphate (non-preferred name)
HNF
HNF
Name:7-nitro-9H-fluoren-2-ol
Formula:C13 H9 N O3
SMILES:Oc1ccc2c(Cc3cc(ccc23)[N+]([O-])=O)c1
InChi:InChI=1S/C13H9NO3/c15-11-2-4-13-9(7-11)5-8-6-10(14(16)17)1-3-12(8)13/h1-4,6-7,15H,5H2
Synonyms:2-hydroxy-7-nitrofluorene
Definition date:2009-03-27
Last modified:2021-03-01
Identifier:7-nitro-9H-fluoren-2-ol
HNJ
HNJ
Name:3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione
Formula:C17 H17 N3 O2 S
SMILES:C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)(=O)N=4
InChi:InChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19)
Synonyms:(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester
Definition date:2018-07-16
Last modified:2021-03-01
Release date:2019-02-13
Identifier:3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione
HNK
HNK
Name:5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Formula:C10 H14 N2 O
SMILES:n1cc(ccc1O)C2N(C)CCC2
InChi:InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1
Synonyms:6-hydroxy-D-nicotine
Definition date:2010-06-17
Last modified:2021-03-01
Identifier:5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
HNL
HNL
Name:5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Formula:C10 H14 N2 O
SMILES:n1cc(ccc1O)C2N(C)CCC2
InChi:InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1
Synonyms:6-hydroxy-L-nicotine
Definition date:2009-10-14
Last modified:2021-03-01
Identifier:5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
HOE
HOE
Name:2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:C25 H25 N6 O
SMILES:Oc1ccc(cc1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6
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)/p+1
Synonyms:HOECHST 33258
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:4-[2'-(4-hydroxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium
HOP
HOP
Name:(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL
Formula: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
Synonyms:OXY-COPE-HAPTEN
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:4-[({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}carbonyl)amino]butanoic acid
KYA
KYA
Name:4-hydroxyquinoline-2-carboxylic acid
Formula:C10 H7 N O3
SMILES:O=C(O)c1nc2ccccc2c(O)c1
InChi:InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
Synonyms:Kynurenic acid
Definition date:2011-03-15
Last modified:2021-03-01
Identifier:4-hydroxyquinoline-2-carboxylic acid
HP1
HP1
Name:~{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
Formula: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)
Synonyms:IMIDAZOLE-HYDROXYPYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:~{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
Name:HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE
Formula: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)
Synonyms:IMIDAZOLE-PYRROLE-HYDROXYPYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Definition date:2000-07-25
Last modified:2021-03-01
Identifier: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
HPS
HPS
Name:PHENYL DIHYDROGEN PHOSPHATE
Formula:C6 H7 O4 P
SMILES:O=P(Oc1ccccc1)(O)O
InChi:InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
Synonyms:PHENYLPHOSPHATE
Definition date:2003-06-20
Last modified:2021-03-01
Identifier:phenyl dihydrogen phosphate
HQO
HQO
Name:2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE
Formula:C16 H21 N O2
SMILES:[O-][n+]2c1ccccc1c(O)cc2CCCCCCC
InChi:InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3
Synonyms:2-HEPTYL-1-OXY-QUINOLIN-4-OL
Definition date:2001-11-28
Last modified:2021-03-01
Identifier:2-heptylquinolin-4-ol 1-oxide
L04
L04
Name:6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID
Formula:C43 H48 F N3 O5
SMILES:O=C(Nc1ccccc1)C(NC(=O)C(CCc3ccc(c2ccc(F)cc2)cc3)CC(C(=O)O)CCCCN5C(=O)c4ccccc4C5)CC(C)C
InChi:InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1
Synonyms:L004
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2S,4R)-6-(4'-fluorobiphenyl-4-yl)-4-{[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl}-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoic acid
HRO
HRO
Name:5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula: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)
Synonyms:5-Chloroorotic acid
Definition date:2012-11-19
Last modified:2021-03-01
Release date:2013-11-20
Identifier:5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
HS3
HS3
Name:(2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide
Formula: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
Synonyms:(R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
Definition date:2008-11-04
Last modified:2021-03-01
Identifier:N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide
HS5
HS5
Name:2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide
Formula:C10 H11 F N2 O5 S
SMILES:O=S(=O)(c1ccc(F)cc1)N(CC(=O)N=O)CCO
InChi:InChI=1S/C10H11FN2O5S/c11-8-1-3-9(4-2-8)19(17,18)13(5-6-14)7-10(15)12-16/h1-4,14H,5-7H2
Synonyms:4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Definition date:2008-11-04
Last modified:2021-03-01
Identifier:N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(2-hydroxyethyl)-N-oxoglycinamide
HSI
HSI
Name:(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID
Formula: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
Synonyms:(4-(4-(2-(4-CHLOROPHENYL)ETHYNYL)PHENYL))-3-HEXYL-4-OXOBUTANOIC ACID
Definition date:2007-05-23
Last modified:2021-03-01
Identifier:(3R)-3-({4-[(4-chlorophenyl)ethynyl]phenyl}carbonyl)nonanoic acid
HT1
HT1
Name:2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula: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)
Synonyms:HOECHST 33342
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:2'-(4-ethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole
HT6
HT6
Name:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol
Formula: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
Synonyms:Hexylthio-DADMe-Immucillin-A
Definition date:2017-09-11
Last modified:2021-03-01
Release date:2018-09-12
Identifier:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol
L37
L37
Name:[[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID
Formula:C17 H19 N7 O7
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NC(=O)Nc2nc(nc(O)c2N)N)CCC(=O)O
InChi:InChI=1S/C17H19N7O7/c18-11-12(22-16(19)24-14(11)28)23-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6,18H2,(H,21,27)(H,25,26)(H,29,30)(H5,19,20,22,23,24,28,31)/t9-/m0/s1
Synonyms:LY374571
Definition date:1999-12-15
Last modified:2021-03-01
Identifier:N-[(4-{[(2,5-diamino-6-hydroxypyrimidin-4-yl)carbamoyl]amino}phenyl)carbonyl]-L-glutamic acid
L3A
L3A
Name:(2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid
Formula:C9 H20 N O4 P
SMILES:O=P(O)(C(N)CC(C)C)CC(C(=O)O)C
InChi:InChI=1S/C9H20NO4P/c1-6(2)4-8(10)15(13,14)5-7(3)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t7-,8+/m0/s1
Synonyms:L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE
Definition date:2010-06-18
Last modified:2021-03-01
Identifier:(2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid
HTQ
HTQ
Name:HOMOTROPINE
Formula: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
Synonyms:HYDROXY-PHENYL-ACETIC ACID 8-METHYL-8-AZA-BICYCLO[3.2.1]OCT-3-YL ESTER
Definition date:2002-10-24
Last modified:2021-03-01
Identifier:(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-hydroxy(phenyl)ethanoate
HTX
HTX
Name:heptan-2-one
Formula:C7 H14 O
SMILES:CCCCCC(C)=O
InChi:InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
Synonyms:2-heptanone
Definition date:2009-11-05
Last modified:2021-03-01
Identifier:heptan-2-one
QKM
QKM
Name:4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
Formula:C22 H17 F2 N5 O S
SMILES:CC(C(c1c(ccc(c1)F)F)(Cn2ncnc2)O)c4nc(c3ccc(cc3)C#N)cs4
InChi:InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
Synonyms:Isavuconazole
Definition date:2019-11-07
Last modified:2021-03-01
Release date:2020-10-21
Identifier:4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

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數據於2025-07-09公開中

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