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HNC
HNC
Name:S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine
Formula:C12 H23 N O4 S
SMILES:O=C(O)C(N)CSC(C(O)CCCCC)CC=O
InChi:InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1
Synonyms:Cysteine covalently modified with 4-hydroxy-2-nonenal
Definition date:2009-09-17
Last modified:2021-03-01
Identifier:S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine
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
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
3QA
3QA
Name:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol
Formula:C17 H27 N5 O3 S
SMILES:OCCOCCSCCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:InChI=1S/C17H27N5O3S/c18-17-16-15(20-11-21-17)13(7-19-16)9-22-8-12(14(24)10-22)1-5-26-6-4-25-3-2-23/h7,11-12,14,19,23-24H,1-6,8-10H2,(H2,18,20,21)/t12-,14-/m0/s1
Synonyms:2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A
Definition date:2014-10-06
Last modified:2021-03-01
Release date:2015-11-25
Identifier:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol
3QM
3QM
Name:[(2R)-2-nitrosopropyl]benzene
Formula:C9 H11 N O
SMILES:O=NC(Cc1ccccc1)C
InChi:InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
Synonyms:2-nitroso-1-phenylpropane
Definition date:2014-10-08
Last modified:2021-03-01
Release date:2017-05-10
Identifier:[(2R)-2-nitrosopropyl]benzene
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
3T5
3T5
Name:(11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
Formula:C22 H30 F O8 P
SMILES:O=P(O)(O)OCC(=O)C4(O)C3(C(C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)C3)CC4C)C
InChi:InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
Synonyms:Dexamethasone 21-phosphate
Definition date:2011-08-15
Last modified:2021-03-01
Identifier:(11alpha,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
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
HS9
HS9
Name:N-ALPHA-METHYL-L-HISTIDINAMIDE
Formula: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
Synonyms:N-METHYL-L-HISTIDINAMIDE
Definition date:2009-09-02
Last modified:2021-03-01
Identifier:Nalpha-methyl-L-histidinamide
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
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
HTS
HTS
Name:2-MERCAPTOPHENOL
Formula: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
Synonyms:2-HYDROXYTHIOPHENOL
Definition date:2007-02-27
Last modified:2021-03-01
Identifier:2-sulfanylphenol
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
3VL
3VL
Name:methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Formula:C30 H35 N O10
SMILES:O=C(OC)C5c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3C(OC4OC(C(O)C(N(C)C)C4)C)CC5(O)CC
InChi:InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1
Synonyms:aclacinomycin T
Definition date:2014-11-14
Last modified:2021-03-01
Release date:2015-07-29
Identifier:methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
3VN
3VN
Name:(2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid
Formula:C14 H30 N4 O4
SMILES:O=C(O)C(N)(CCC(N)(C(=O)O)CCCCN)CCCCN
InChi:InChI=1S/C14H30N4O4/c15-9-3-1-5-13(17,11(19)20)7-8-14(18,12(21)22)6-2-4-10-16/h1-10,15-18H2,(H,19,20)(H,21,22)/t13-,14-/m1/s1
Synonyms:bis-Lysine
Definition date:2014-11-14
Last modified:2021-03-01
Release date:2016-02-17
Identifier:(2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid (non-preferred name)
3VV
3VV
Name:S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)
Formula:C39 H68 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1
Synonyms:oleoyl-CoA
Definition date:2014-11-19
Last modified:2021-03-01
Release date:2015-02-18
Identifier:S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)
3W3
3W3
Name:4-(allyloxy)benzenesulfonamide
Formula:C9 H11 N O3 S
SMILES:O=S(=O)(N)c1ccc(OCC=C)cc1
InChi:InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
Synonyms:4-(prop-2-en-1-yloxy)benzenesulfonamide
Definition date:2014-11-24
Last modified:2021-03-01
Release date:2015-04-22
Identifier:4-(prop-2-en-1-yloxy)benzenesulfonamide
3XW
3XW
Name:4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:C28 H27 F3 N8 S
SMILES:N#Cc2n(c1ccc(c(c1c2)C)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5)Cc6cnnc6
InChi:InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)
Synonyms:MI-503
Definition date:2014-12-08
Last modified:2021-03-01
Release date:2015-04-15
Identifier:4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

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