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12U
12U
Name:N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Formula:C22 H33 N5 O2
SMILES:O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCCC2)CCC3
InChi:InChI=1S/C22H33N5O2/c23-21(24)17-11-9-16(10-12-17)14-26-22(29)19-8-5-13-27(19)20(28)15-25-18-6-3-1-2-4-7-18/h9-12,18-19,25H,1-8,13-15H2,(H3,23,24)(H,26,29)/t19-/m0/s1
Synonyms:(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cycloheptylamino)ethanoyl]pyrrolidine-2-carboxamide
Definition date:2008-01-15
Last modified:2021-03-01
Identifier:N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
12V
12V
Name:(2S,3R,4R,5S,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
Formula:C17 H27 N3 O16 P2 S
SMILES:O=P(OC1SC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
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
Synonyms:URIDINE DIPHOSPHO-5-THIO-N-ACETYLGLUCOSAMINE
Definition date:2012-06-19
Last modified:2021-03-01
Release date:2012-10-19
Identifier:(2S,3R,4R,5S,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)
MSC
MSC
Name:2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE
Formula:C36 H36 Cl F N2 O7
SMILES:Fc1cccc(Cl)c1CNC(=O)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O
InChi:InChI=1S/C36H36ClFN2O7/c37-27-16-9-17-28(38)26(27)19-39-35(44)33(46-20-22-10-3-1-4-11-22)31(42)32(43)34(47-21-23-12-5-2-6-13-23)36(45)40-30-25-15-8-7-14-24(25)18-29(30)41/h1-17,29-34,41-43H,18-21H2,(H,39,44)(H,40,45)/t29-,30+,31-,32-,33-,34-/m1/s1
Synonyms:INHIBITOR MSL370
Definition date:1999-10-05
Last modified:2021-03-01
Identifier:(2R,3R,4R,5R)-2,5-bis(benzyloxy)-N-(2-chloro-6-fluorobenzyl)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
13U
13U
Name:N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Formula:C23 H35 N5 O2
SMILES:O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCCCC2)CCC3
InChi:InChI=1S/C23H35N5O2/c24-22(25)18-12-10-17(11-13-18)15-27-23(30)20-9-6-14-28(20)21(29)16-26-19-7-4-2-1-3-5-8-19/h10-13,19-20,26H,1-9,14-16H2,(H3,24,25)(H,27,30)/t20-/m0/s1
Synonyms:(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclooctylamino)ethanoyl]pyrrolidine-2-carboxamide
Definition date:2008-02-06
Last modified:2021-03-01
Identifier:N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
MSZ
MSZ
Name:(2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
Formula:C15 H10 Cl F3 O3
SMILES:Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O
InChi:InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m0/s1
Synonyms:Metaglidasen (S enantiomer)
Definition date:2014-04-09
Last modified:2021-03-01
Release date:2015-02-11
Identifier:(2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
MT1
MT1
Name:N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID
Formula:C20 H23 N8 O5
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)[nH+]c(nc3N)N)CCC(=O)O
InChi:InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p+1/t13-/m0/s1
Synonyms:METHOTREXATE PROTONATED AT N1
Definition date:2006-10-25
Last modified:2021-03-01
Identifier:N-[(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid
146
146
Name:[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
Formula:C49 H44 N8 O5
SMILES:O=C(Nc1nc2ccccc2n1)c3cc(ccc3)CN5C(=O)N(C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Cc7cccc(c7)C(=O)Nc9nc8ccccc8n9
InChi:InChI=1S/C49H44N8O5/c58-43-41(27-31-13-3-1-4-14-31)56(29-33-17-11-19-35(25-33)45(60)54-47-50-37-21-7-8-22-38(37)51-47)49(62)57(42(44(43)59)28-32-15-5-2-6-16-32)30-34-18-12-20-36(26-34)46(61)55-48-52-39-23-9-10-24-40(39)53-48/h1-26,41-44,58-59H,27-30H2,(H2,50,51,54,60)(H2,52,53,55,61)/t41-,42-,43+,44+/m1/s1
Synonyms:SD146
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1H-benzimidazol-2-ylbenzamide)
MT9
MT9
Name:(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
Formula:C25 H43 N O7
SMILES:O=C2OC(CC)C(O)(C=CC(=O)C(C)CC(C(OC1OC(CC(N(C)C)C1O)C)C2C)C)C
InChi:InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1
Synonyms:methymycin
Definition date:2009-04-22
Last modified:2021-03-01
Identifier:(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
MTP
MTP
Name:2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL
Formula:C11 H14 N4 O4 S
SMILES:n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO
InChi:InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
Synonyms:9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE
Definition date:2003-06-23
Last modified:2021-03-01
Identifier:6-(methylsulfanyl)-9-beta-D-ribofuranosyl-9H-purine
MUC
MUC
Name:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Formula:C6 H6 O4
SMILES:O=C(O)CC1OC(=O)C=C1
InChi:InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1
Synonyms:muconolactone
Definition date:2008-06-15
Last modified:2021-03-01
Identifier:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
MUS
MUS
Name:4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID
Formula:C21 H25 N O11
SMILES:O=C3Oc2c(ccc(OC1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C(=O)O)c2)C(=C3)C
InChi:InChI=1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/t13-,14+,17+,18+,19+,21+/m0/s1
Synonyms:METHYLUMBELLIFERYL SIALIC ACID
Definition date:2004-01-19
Last modified:2021-03-01
Identifier:4-methyl-2-oxo-2H-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
16N
16N
Name:2,3-dihydro-1H-indene
Formula:C9 H10
SMILES:c1cccc2c1CCC2
InChi:InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
Synonyms:indan
Definition date:2012-10-22
Last modified:2021-03-01
Release date:2013-10-30
Identifier:2,3-dihydro-1H-indene
16R
16R
Name:(methylsulfanyl)benzene
Formula:C7 H8 S
SMILES:CSc1ccccc1
InChi:InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
Synonyms:methyl phenyl sulfide
Definition date:2012-10-22
Last modified:2021-03-01
Release date:2013-10-30
Identifier:(methylsulfanyl)benzene
16Z
16Z
Name:(2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
Formula:C13 H19 N O3
SMILES:OC2C(c1ccc(OC)cc1)N(C)C(C)C2O
InChi:InChI=1S/C13H19NO3/c1-8-12(15)13(16)11(14(8)2)9-4-6-10(17-3)7-5-9/h4-8,11-13,15-16H,1-3H3/t8-,11-,12+,13-/m0/s1
Synonyms:4-epi-(+)-Codonopsinine
Definition date:2013-03-08
Last modified:2021-03-01
Release date:2013-09-18
Identifier:(2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
173
173
Name:BENZOYL-FORMIC ACID
Formula:C8 H6 O3
SMILES:O=C(C(=O)O)c1ccccc1
InChi:InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
Synonyms:OXO(PHENYL)ACETIC ACID
Definition date:2004-04-09
Last modified:2021-03-01
Identifier:oxo(phenyl)acetic acid
MWB
MWB
Name:N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine
Formula:C18 H21 N7
SMILES:N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)NCC4
InChi:InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)
Synonyms:CD27
Definition date:2014-02-04
Last modified:2021-03-01
Release date:2014-06-11
Identifier:N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
17S
17S
Name:N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Formula:C15 H21 N3 O6 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(OC)cc2
InChi:InChI=1S/C15H21N3O6S/c1-23-9-4-2-8(3-5-9)6-16-18-15(25)17-14-13(22)12(21)11(20)10(7-19)24-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,25)/b16-6+/t10-,11-,12+,13-,14-/m1/s1
Synonyms:4-methoxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Definition date:2010-05-03
Last modified:2021-03-01
Identifier:N-{[(2E)-2-(4-methoxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
180
180
Name:2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-3-[[2-CARBONYL-5-[2-(PIPERIDIN-4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-PROPIONIC ACID
Formula:C22 H26 N4 O5 S3
SMILES:O=S(=O)(c1cccnc1)NC(C(=O)O)CNC(=O)c2sc3sc(cc3c2)CCC4CCNCC4
InChi:InChI=1S/C22H26N4O5S3/c27-20(25-13-18(21(28)29)26-34(30,31)17-2-1-7-24-12-17)19-11-15-10-16(32-22(15)33-19)4-3-14-5-8-23-9-6-14/h1-2,7,10-12,14,18,23,26H,3-6,8-9,13H2,(H,25,27)(H,28,29)/t18-/m1/s1
Synonyms:MERCK L739758
Definition date:2004-07-20
Last modified:2021-03-01
Identifier:3-({[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine
MX7
MX7
Name:(2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate
Formula:C39 H73 O8 P
SMILES:O=C(OC(COP(=O)(O)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C39H73O8P/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/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1
Synonyms:dioleoyl-phosphatidic acid
Definition date:2013-09-30
Last modified:2021-03-01
Release date:2014-10-01
Identifier:(2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate
18S
18S
Name:N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Formula:C15 H21 N3 O5 S
SMILES:S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C
InChi:InChI=1S/C15H21N3O5S/c1-8-2-4-9(5-3-8)6-16-18-15(24)17-14-13(22)12(21)11(20)10(7-19)23-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,24)/b16-6+/t10-,11-,12+,13-,14-/m1/s1
Synonyms:4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Definition date:2010-05-03
Last modified:2021-03-01
Identifier:N-{[(2E)-2-(4-methylbenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine
MZB
MZB
Name:(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol
Formula:C6 H13 N O4 S
SMILES:O=S(C1C(O)C(O)C(O)C1N)C
InChi:InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12+/m0/s1
Synonyms:MANNOSTATIN B
Definition date:2008-07-25
Last modified:2021-03-01
Identifier:(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol
MZM
MZM
Name:N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
Formula:C5 H8 N4 O3 S2
SMILES:NS(=O)(=O)C=1S/C(N(N=1)C)=NC(=O)C
InChi:InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-
Synonyms:Methazolamide
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
325
325
Name:N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
Formula:C21 H16 F2 N4 O3 S
SMILES:O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4cccnc4)CC
InChi:InChI=1S/C21H16F2N4O3S/c1-2-31(29,30)27-17-6-5-16(22)18(19(17)23)20(28)15-11-26-21-14(15)8-13(10-25-21)12-4-3-7-24-9-12/h3-11,27H,2H2,1H3,(H,25,26)
Synonyms:PLX3203
Definition date:2008-02-07
Last modified:2021-03-01
Identifier:N-(2,4-difluoro-3-{[5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}phenyl)ethanesulfonamide
32H
32H
Name:2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
Formula:C14 H6 Br2 N2 O2 S
SMILES:Brc3ccc(c1c2C(O)=C(C#N)C(=O)Nc2sc1Br)cc3
InChi:InChI=1S/C14H6Br2N2O2S/c15-7-3-1-6(2-4-7)9-10-11(19)8(5-17)13(20)18-14(10)21-12(9)16/h1-4H,(H2,18,19,20)
Synonyms:Br2-A769662core
Definition date:2014-05-23
Last modified:2021-03-01
Release date:2014-08-06
Identifier:2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
32J
32J
Name:2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
Formula:C20 H11 Cl N2 O3 S
SMILES:N#CC4=C(O)c1c(sc(Cl)c1c3ccc(c2ccccc2O)cc3)NC4=O
InChi:InChI=1S/C20H11ClN2O3S/c21-18-15(16-17(25)13(9-22)19(26)23-20(16)27-18)11-7-5-10(6-8-11)12-3-1-2-4-14(12)24/h1-8,24H,(H2,23,25,26)
Synonyms:Cl-A769662
Definition date:2014-05-23
Last modified:2021-03-01
Release date:2014-08-06
Identifier:2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

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