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Z81
Z81
表記:(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
組成式:C21 H16 F2 N4 O
SMILES:CN1C(=N[C](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N
InChi:InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1
別名:4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
定義日:2010-02-05
最終更新日:2020-06-17
識別子（ID）:(5S)-2-azanyl-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-yl-imidazol-4-one
Z83
Z83
表記:(4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid
組成式:C19 H21 N5 O3 S
SMILES:CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(CC(O)=O)cc3
InChi:InChI=1S/C19H21N5O3S/c1-19(2,3)14-11-15(21-17(27)22-18-20-8-9-28-18)24(23-14)13-6-4-12(5-7-13)10-16(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,20,21,22,27)
別名:2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
定義日:2010-01-24
最終更新日:2020-06-17
識別子（ID）:2-[4-[3-tert-butyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]ethanoic acid
Z87
Z87
表記:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea
組成式:C18 H21 N5 O S
SMILES:Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C)C
InChi:InChI=1S/C18H21N5OS/c1-12-5-7-13(8-6-12)23-15(11-14(22-23)18(2,3)4)20-16(24)21-17-19-9-10-25-17/h5-11H,1-4H3,(H2,19,20,21,24)
別名:1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea
定義日:2010-01-24
最終更新日:2020-06-17
識別子（ID）:1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(1,3-thiazol-2-yl)urea
Z89
Z89
表記:(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
組成式:C15 H9 Br N2 O6 S2
SMILES:OC(=O)C[CH](N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C(O)=O
InChi:InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1
別名:N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
定義日:2010-01-24
最終更新日:2020-06-17
識別子（ID）:(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
FNR
FNR
表記:1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL
組成式:C17 H23 N4 O9 P
SMILES:c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c3)CC(O)C(O)C(O)COP(O)(=O)O
InChi:InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1
別名:TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE
定義日:2006-02-10
最終更新日:2020-06-17
識別子（ID）:1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol
NRH
NRH
表記:Norharmane
組成式:C11 H8 N2
SMILES:n3ccc2c1c(cccc1)nc2c3
InChi:InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
別名:9H-beta-carboline
定義日:2013-04-25
最終更新日:2020-06-17
公開日:2013-05-22
識別子（ID）:9H-beta-carboline
YBY
YBY
表記:N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid
組成式:C15 H17 I N2 O8
SMILES:Ic1cc(ccc1O)CC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:InChI=1S/C15H17IN2O8/c16-8-5-7(1-3-11(8)19)6-10(14(24)25)18-15(26)17-9(13(22)23)2-4-12(20)21/h1,3,5,9-10,19H,2,4,6H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,26)/t9-,10-/m0/s1
別名:(S)-2-(3-((S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl)ureido)pentanedioic acid
定義日:2008-06-05
最終更新日:2020-06-17
識別子（ID）:N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid
Z90
Z90
表記:4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid
組成式:C36 H39 N O5
SMILES:OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O
InChi:InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)
別名:4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid)
定義日:2010-01-23
最終更新日:2020-06-17
識別子（ID）:4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[(4-phenethylphenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid
Z92
Z92
表記:(4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
組成式:C17 H15 Cl N4 O3
SMILES:COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(Cl)cc3
InChi:InChI=1S/C17H15ClN4O3/c1-24-13-8-3-10(9-14(13)25-2)15-16(17(23)22-20-15)21-19-12-6-4-11(18)5-7-12/h3-9,19H,1-2H3,(H,21,22,23)
別名:(4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one
定義日:2010-01-21
最終更新日:2020-06-17
識別子（ID）:(4E)-4-[(4-chlorophenyl)hydrazinylidene]-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-one
FO1
FO1
表記:1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol
組成式:C16 H17 N3 O7
SMILES:O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO
InChi:InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1
別名:7,8-didemethyl-8-hydroxy-5-deazariboflavin
定義日:2008-02-01
最終更新日:2020-06-17
識別子（ID）:1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol
Z93
Z93
表記:2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium
組成式:C24 H19 N4 O4
SMILES:COc1ccc2C=[N+](C[C]3(NC(=O)NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1
InChi:InChI=1S/C24H18N4O4/c1-32-19-9-6-17-13-28(21(29)20(17)11-19)14-24(22(30)26-23(31)27-24)18-7-4-15(5-8-18)16-3-2-10-25-12-16/h2-13H,14H2,1H3,(H-,26,27,30,31)/p+1/t24-/m0/s1
別名:N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
定義日:2010-01-16
最終更新日:2020-06-17
識別子（ID）:(5R)-5-[(6-methoxy-1-oxo-isoindol-2-ium-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione
Z94
Z94
表記:N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide
組成式:C11 H11 N3 O3
SMILES:CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O
InChi:InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1
別名:2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID
定義日:2009-12-14
最終更新日:2020-06-17
識別子（ID）:N-[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]ethanamide
YPG
YPG
表記:[3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid
組成式:C14 H22 N6 O10 P2
SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3CN(C[CH]3OC[CH](O)[P](O)(O)=O)C(=O)CC[P](O)(O)=O
InChi:InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1
別名:[3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
定義日:2016-01-12
最終更新日:2020-06-17
公開日:2017-01-18
識別子（ID）:[3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-yl]-3-oxidanylidene-propyl]phosphonic acid
FOM
FOM
表記:3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID
組成式:C4 H10 N O5 P
SMILES:O=P(O)(O)CCCN(O)C=O
InChi:InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
別名:FOSMIDOMYCIN
定義日:2003-03-05
最終更新日:2020-06-17
識別子（ID）:{3-[formyl(hydroxy)amino]propyl}phosphonic acid
FON
FON
表記:N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid
組成式:C20 H23 N7 O7
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCC3N(C2=C(NC(=NC2=O)N)NC3)C=O)CCC(=O)O
InChi:InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1
別名:[6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE
定義日:1999-07-09
最終更新日:2020-06-17
識別子（ID）:N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid
YCU
YCU
表記:1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA
組成式:C17 H23 N5 O6 S2
SMILES:CNC(=O)Nc1cc(OC)cc(NC(=O)N[S](=O)(=O)c2sc(CCOC)c(C)c2)n1
InChi:InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24)
別名:RO5207315
定義日:2011-01-14
最終更新日:2020-06-17
識別子（ID）:1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea
ZAA
ZAA
表記:(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid
組成式:C29 H26 N4 O4
SMILES:O=C(O)Cc1nn(nc1Cc4cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5
InChi:InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35)
別名:2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID
定義日:2007-12-06
最終更新日:2020-06-17
識別子（ID）:(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid
NSE
NSE
表記:3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
組成式:C14 H8 N4 O
SMILES:N#Cc3cccc(c1nc(no1)c2cnccc2)c3
InChi:InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H
別名:NS9283
定義日:2013-12-26
最終更新日:2020-06-17
公開日:2014-07-08
識別子（ID）:3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
FOT
FOT
表記:5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
組成式:C5 H3 F N2 O4
SMILES:O=C(O)C1=C(F)C(=O)NC(=O)N1
InChi:InChI=1S/C5H3FN2O4/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-FLUOROOROTIC ACID
定義日:2006-11-09
最終更新日:2020-06-17
識別子（ID）:5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
FOU
FOU
表記:(5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
組成式:C4 H7 F N2 O3
SMILES:FC1C(O)NC(=O)NC1O
InChi:InChI=1S/C4H7FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1-3,8-9H,(H2,6,7,10)/t2-,3-/m1/s1
別名:(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE
定義日:2006-09-05
最終更新日:2020-06-17
識別子（ID）:(4R,6R)-5-fluoro-4,6-dihydroxytetrahydropyrimidin-2(1H)-one
NSS
NSS
表記:5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE
組成式:C14 H21 N8 O8 S
SMILES:O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+]
InChi:InChI=1S/C14H20N8O8S/c15-5(1-7(16)23)13(26)21-31(27,28)29-2-6-9(24)10(25)14(30-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-6,9-10,14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/p+1/t5-,6+,9+,10+,14+/m0/s1
別名:ASN-SA
定義日:2005-05-25
最終更新日:2020-06-17
識別子（ID）:5'-O-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]sulfamoyl}adenosine
FPH
FPH
表記:3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
組成式:C18 H12 F N3 O
SMILES:Fc4ccc(c2c1ncccc1n(O)c2c3ccncc3)cc4
InChi:InChI=1S/C18H12FN3O/c19-14-5-3-12(4-6-14)16-17-15(2-1-9-21-17)22(23)18(16)13-7-10-20-11-8-13/h1-11,23H
別名:3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE
定義日:2003-04-09
最終更新日:2020-06-17
識別子（ID）:3-(4-fluorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-1-ol
ZC0
ZC0
表記:Contezolid
組成式:C18 H15 F3 N4 O4
SMILES:C1C(C=CN(C1)c2c(F)cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O
InChi:InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1
別名:MRX-I
定義日:2020-04-29
最終更新日:2020-06-17
公開日:2020-06-03
識別子（ID）:1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1H)-one
NTE
NTE
表記:[3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro panoato(2-)]iron
組成式:C34 H31 Fe N5 O6
SMILES:N45[Fe]26n1c8c(c(c1C=C3N2=C(C(=C3C)C=C[N+]([O-])=O)C=C4C(=C(C5=CC7=N6C(C(=C7C)CCC(=O)O)=C8)C=C)C)C)CCC(O)=O
InChi:InChI=1S/C34H33N5O6.Fe/c1-6-21-17(2)27-15-30-24(11-12-39(44)45)20(5)26(36-30)13-25-18(3)22(7-9-33(40)41)31(37-25)16-32-23(8-10-34(42)43)19(4)28(38-32)14-29(21)35-27
別名:Nitriheme
定義日:2011-03-02
最終更新日:2020-06-17
識別子（ID）:{3,3'-[7-ethenyl-3,8,13,17-tetramethyl-12-(2-nitroethenyl)porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron
FPY
FPY
表記:(4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE
組成式:C4 H5 F N2 O2
SMILES:FC1=CNC(=O)NC1O
InChi:InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1
別名:5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE
定義日:2003-11-10
最終更新日:2020-06-17
識別子（ID）:(4S)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one

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件を2025-07-09に公開中

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