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UKJ
UKJ
表記:1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
組成式:C13 H7 Br F3 N O5 S
SMILES:[O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc(Br)cc(c2)F)=O
InChi:InChI=1S/C13H7BrF3NO5S/c14-7-3-8(15)5-9(4-7)23-12-2-1-10(6-11(12)18(19)20)24(21,22)13(16)17/h1-6,13H
定義日:2020-05-20
最終更新日:2021-05-21
公開日:2021-05-26
識別子（ID）:1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
ULS
ULS
表記:3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
組成式:C16 H10 F4 N2 O2
SMILES:N#Cc1cc(cc(c1)Oc2cnc(c3c2CCC3O)C(F)(F)F)F
InChi:InChI=1S/C16H10F4N2O2/c17-9-3-8(6-21)4-10(5-9)24-13-7-22-15(16(18,19)20)14-11(13)1-2-12(14)23/h3-5,7,12,23H,1-2H2/t12-/m1/s1
定義日:2020-05-22
最終更新日:2021-05-21
公開日:2021-05-26
識別子（ID）:3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
YGM
YGM
表記:(but-3-en-1-yl)benzene
組成式:C10 H12
SMILES:C=CCCc1ccccc1
InChi:InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
定義日:2021-03-03
最終更新日:2021-05-14
公開日:2021-05-19
識別子（ID）:(but-3-en-1-yl)benzene
YGV
YGV
表記:1-chloro-2-(methylsulfanyl)benzene
組成式:C7 H7 Cl S
SMILES:CSc1ccccc1Cl
InChi:InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
定義日:2021-03-03
最終更新日:2021-05-14
公開日:2021-05-19
識別子（ID）:1-chloro-2-(methylsulfanyl)benzene
ZNV
ZNV
表記:1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
組成式:C9 H9 F O
SMILES:Fc1ccccc1OCC=C
InChi:InChI=1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2
定義日:2021-05-12
最終更新日:2021-05-14
公開日:2021-05-19
識別子（ID）:1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
Y7V
Y7V
表記:1-fluoranyl-3-iodanyl-benzene
組成式:C6 H4 F I
SMILES:Fc1cccc(I)c1
InChi:InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
定義日:2021-02-10
最終更新日:2021-05-14
公開日:2021-05-19
識別子（ID）:1-fluoranyl-3-iodanyl-benzene
Y87
Y87
表記:1-bromanyl-4-fluoranyl-benzene
組成式:C6 H4 Br F
SMILES:Fc1ccc(Br)cc1
InChi:InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
定義日:2021-02-10
最終更新日:2021-05-14
公開日:2021-05-19
識別子（ID）:1-bromanyl-4-fluoranyl-benzene
Y8D
Y8D
表記:1-fluoranyl-4-iodanyl-benzene
組成式:C6 H4 F I
SMILES:Fc1ccc(I)cc1
InChi:InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
定義日:2021-02-10
最終更新日:2021-05-14
公開日:2021-05-19
識別子（ID）:1-fluoranyl-4-iodanyl-benzene
KK6
KK6
表記:5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile
組成式:C31 H29 F N6 O3
SMILES:COc1cc2ncnc(N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(F)c(c6)C#N)c2cc1OC
InChi:InChI=1S/C31H29FN6O3/c1-40-28-14-24-26(15-29(28)41-2)34-19-35-30(24)36-11-9-20(10-12-36)17-37-18-21-5-3-4-6-27(21)38(31(37)39)23-7-8-25(32)22(13-23)16-33/h3-8,13-15,19-20H,9-12,17-18H2,1-2H3
定義日:2020-06-24
最終更新日:2021-05-07
公開日:2021-05-12
識別子（ID）:5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4~{H}-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile
P75
P75
表記:4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
組成式:C19 H22 N6 O7 S
SMILES:CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O
InChi:InChI=1S/C19H22N6O7S/c1-11-7-24(19(28)21-18(11)27)17-6-15(16(9-26)32-17)25-8-12(22-23-25)10-31-13-2-4-14(5-3-13)33(20,29)30/h2-5,7-8,15-17,26H,6,9-10H2,1H3,(H2,20,29,30)(H,21,27,28)/t15-,16+,17+/m0/s1
定義日:2020-04-16
最終更新日:2021-04-23
公開日:2021-04-28
識別子（ID）:4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
WE4
WE4
表記:2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
組成式:C8 H2 Br4 O4
SMILES:C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O
InChi:InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
定義日:2020-10-20
最終更新日:2021-04-23
公開日:2021-04-28
識別子（ID）:2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
VLA
VLA
表記:N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid
組成式:C20 H23 N7 O5
SMILES:C(=O)(c3ccc(NCC=2CCc1c(c(nc(N)n1)N)N=2)cc3)NC(CCC(O)=O)C(=O)O
InChi:InChI=1S/C20H23N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,14,23H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t14-/m0/s1
定義日:2020-08-27
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid
VMV
VMV
表記:N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid
組成式:C20 H25 N7 O5
SMILES:c2(N)nc3CCC(CNc1ccc(C(NC(C(O)=O)CCC(O)=O)=O)cc1)Nc3c(n2)N
InChi:InChI=1S/C20H25N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,12,14,23-24H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t12-,14-/m0/s1
定義日:2020-08-28
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid
YO1
YO1
表記:4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide
組成式:C24 H20 N10 O4 S4
SMILES:O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(/N=N/c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(N)cc2N)cc1
InChi:InChI=1S/C24H20N10O4S4/c25-19-13-20(26)22(32-30-16-3-7-18(8-4-16)42(37,38)34-24-28-10-12-40-24)14-21(19)31-29-15-1-5-17(6-2-15)41(35,36)33-23-27-9-11-39-23/h1-14H,25-26H2,(H,27,33)(H,28,34)/b31-29+,32-30+
別名:NSC86314
定義日:2021-03-15
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:4,4'-{(4,6-diamino-1,3-phenylene)bis[(E)-diazene-2,1-diyl]}bis[N-(1,3-thiazol-2-yl)benzene-1-sulfonamide]
QH5
QH5
表記:~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
組成式:C19 H17 N7 O2 S
SMILES:O=[S](=O)(Nc1cccc(c1)n2ncc(c3n[nH]nn3)c2C4CC4)c5ccccc5
InChi:InChI=1S/C19H17N7O2S/c27-29(28,16-7-2-1-3-8-16)23-14-5-4-6-15(11-14)26-18(13-9-10-13)17(12-20-26)19-21-24-25-22-19/h1-8,11-13,23H,9-10H2,(H,21,22,24,25)
定義日:2020-06-17
最終更新日:2021-04-09
公開日:2021-04-14
識別子（ID）:~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
UK7
UK7
表記:3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
組成式:C18 H19 N3 O S
SMILES:C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)ccc3
InChi:InChI=1S/C18H19N3OS/c19-10-12-4-5-15-16(11-21(6-7-22)17(15)8-12)13-2-1-3-14(9-13)18(20)23/h1-5,8-9,11,22H,6-7,10,19H2,(H2,20,23)
定義日:2020-05-19
最終更新日:2021-04-02
公開日:2021-04-07
識別子（ID）:3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
U5J
U5J
表記:[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
組成式:C13 H17 Hg N O6
SMILES:c1cc(C(=O)NCC(C[Hg]O)OC)c(cc1)OCC(O)=O
InChi:InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16
定義日:2020-04-23
最終更新日:2021-04-02
公開日:2021-04-07
識別子（ID）:[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
OQT
OQT
表記:2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
組成式:C16 H13 F3 N2 O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc3ccccc23
InChi:InChI=1S/C16H13F3N2O2S/c17-11-8-12(18)15(16(14(11)19)24(20,22)23)21-13-7-3-5-9-4-1-2-6-10(9)13/h1-4,6-8,13,21H,5H2,(H2,20,22,23)/t13-/m0/s1
別名:2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
定義日:2020-03-30
最終更新日:2021-04-02
公開日:2021-04-07
識別子（ID）:2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
OQW
OQW
表記:2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
組成式:C14 H19 F3 N2 O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2
InChi:InChI=1S/C14H19F3N2O2S/c15-10-8-11(16)13(14(12(10)17)22(18,20)21)19-9-6-4-2-1-3-5-7-9/h8-9,19H,1-7H2,(H2,18,20,21)
別名:2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide
定義日:2020-03-30
最終更新日:2021-04-02
公開日:2021-04-07
識別子（ID）:2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide
TG7
TG7
表記:4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
組成式:C21 H15 N3 O4
SMILES:c1(nc3ccccn3c1Nc2cc(C(O)=O)c(C(O)=O)cc2)c4ccccc4
InChi:InChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28)
定義日:2020-03-20
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
TGM
TGM
表記:4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
組成式:C21 H15 N3 O5
SMILES:c1(nc3ccccn3c1Nc2ccc(c(c2)C(O)=O)C(O)=O)c4c(cccc4)O
InChi:InChI=1S/C21H15N3O5/c25-16-6-2-1-5-14(16)18-19(24-10-4-3-7-17(24)23-18)22-12-8-9-13(20(26)27)15(11-12)21(28)29/h1-11,22,25H,(H,26,27)(H,28,29)
定義日:2020-03-20
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
TGV
TGV
表記:4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
組成式:C20 H14 N4 O4
SMILES:c2(c(n1ccncc1n2)Nc3cc(C(O)=O)c(C(O)=O)cc3)c4ccccc4
InChi:InChI=1S/C20H14N4O4/c25-19(26)14-7-6-13(10-15(14)20(27)28)22-18-17(12-4-2-1-3-5-12)23-16-11-21-8-9-24(16)18/h1-11,22H,(H,25,26)(H,27,28)
定義日:2020-03-20
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
UB7
UB7
表記:terephthalic acid
組成式:C8 H6 O4
SMILES:c1c(ccc(c1)C(O)=O)C(=O)O
InChi:InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
別名:benzene-1,4-dicarboxylic acid
定義日:2020-05-06
最終更新日:2021-03-13
公開日:2020-09-16
識別子（ID）:benzene-1,4-dicarboxylic acid
P0T
P0T
表記:cannabidiol
組成式:C21 H30 O2
SMILES:C(=C)(C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC)O
InChi:InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
別名:(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
定義日:2019-01-16
最終更新日:2021-03-13
公開日:2019-10-16
識別子（ID）:(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
ZZ4
ZZ4
表記:4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
組成式:C16 H11 Cl2 N5
SMILES:Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N
InChi:InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+
別名:4-(2,4-DICHLORO-PHEYL)-5-PHENYLAZO-PYRIMIDIN-2YLAMINE
定義日:2009-05-08
最終更新日:2021-03-13
識別子（ID）:4-(2,4-dichlorophenyl)-5-[(E)-phenyldiazenyl]pyrimidin-2-amine

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件を2024-08-07に公開中

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