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GFW
GFW
表記:ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
組成式:C18 H24 N2 O4 S2
SMILES:CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(C)C
InChi:InChI=1S/C18H24N2O4S2/c1-4-24-18(21)11-17-20-16(12-25-17)14-5-7-15(8-6-14)26(22,23)19-10-9-13(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
GFZ
GFZ
表記:4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide
組成式:C29 H30 N2 O3
SMILES:CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5
InChi:InChI=1S/C29H30N2O3/c1-20(2)31-16-14-29(15-17-31)19-26(32)25-18-23(12-13-27(25)34-29)21-8-10-22(11-9-21)28(33)30-24-6-4-3-5-7-24/h3-13,18,20H,14-17,19H2,1-2H3,(H,30,33)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide
GG8
GG8
表記:~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
組成式:C9 H10 F3 N O2 S
SMILES:FC(F)(F)CCN[S](=O)(=O)c1ccccc1
InChi:InChI=1S/C9H10F3NO2S/c10-9(11,12)6-7-13-16(14,15)8-4-2-1-3-5-8/h1-5,13H,6-7H2
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
GGK
GGK
表記:4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
組成式:C13 H15 F3 N2 O4 S2
SMILES:C[S](=O)(=O)NCC#Cc1ccc(cc1)[S](=O)(=O)NCCC(F)(F)F
InChi:InChI=1S/C13H15F3N2O4S2/c1-23(19,20)17-9-2-3-11-4-6-12(7-5-11)24(21,22)18-10-8-13(14,15)16/h4-7,17-18H,8-10H2,1H3
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
GGN
GGN
表記:4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
組成式:C21 H20 F3 N3 O S
SMILES:CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCCC(F)(F)F
InChi:InChI=1S/C21H20F3N3OS/c1-2-3-17-12-16(8-10-25-17)20-27-18(13-29-20)14-4-6-15(7-5-14)19(28)26-11-9-21(22,23)24/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,26,28)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
GH2
GH2
表記:ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
組成式:C17 H17 F3 N2 O3 S
SMILES:CCOC(=O)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChi:InChI=1S/C17H17F3N2O3S/c1-2-25-15(23)9-14-22-13(10-26-14)11-3-5-12(6-4-11)16(24)21-8-7-17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,21,24)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
GH5
GH5
表記:4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
組成式:C17 H18 F3 N3 O2
SMILES:FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)c3ccccc3
InChi:InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
GH8
GH8
表記:4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide
組成式:C30 H32 N2 O3
SMILES:CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5
InChi:InChI=1S/C30H32N2O3/c1-21(2)32-16-14-30(15-17-32)19-27(33)26-18-25(12-13-28(26)35-30)23-8-10-24(11-9-23)29(34)31-20-22-6-4-3-5-7-22/h3-13,18,21H,14-17,19-20H2,1-2H3,(H,31,34)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide
GHB
GHB
表記:4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
組成式:C16 H19 F3 N4 O
SMILES:CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChi:InChI=1S/C16H19F3N4O/c1-11(2)9-13-10-23(22-21-13)14-5-3-12(4-6-14)15(24)20-8-7-16(17,18)19/h3-6,10-11H,7-9H2,1-2H3,(H,20,24)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
GHK
GHK
表記:4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
組成式:C15 H14 N2 O4 S2
SMILES:N[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
InChi:InChI=1S/C15H14N2O4S2/c16-22(18,19)14-10-8-13(9-11-14)5-4-12-17-23(20,21)15-6-2-1-3-7-15/h1-3,6-11,17H,12H2,(H2,16,18,19)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
GHN
GHN
表記:ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
組成式:C16 H17 F3 N2 O4 S2
SMILES:CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
InChi:InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
GHQ
GHQ
表記:~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
組成式:C10 H10 F3 N O
SMILES:FC(F)(F)CCNC(=O)c1ccccc1
InChi:InChI=1S/C10H10F3NO/c11-10(12,13)6-7-14-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
GJ2
GJ2
表記:4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
組成式:C18 H17 F3 N2 O4 S2
SMILES:FC(F)(F)CCN[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
InChi:InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-14-23-29(26,27)17-10-8-15(9-11-17)5-4-13-22-28(24,25)16-6-2-1-3-7-16/h1-3,6-11,22-23H,12-14H2
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
GJ5
GJ5
表記:4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
組成式:C17 H19 F3 N2 O S
SMILES:CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChi:InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
GJ8
GJ8
表記:4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
組成式:C20 H18 F3 N3 O3 S2
SMILES:FC(F)(F)CCNC(=O)c1ccc(cc1)c2csc(CN[S](=O)(=O)c3ccccc3)n2
InChi:InChI=1S/C20H18F3N3O3S2/c21-20(22,23)10-11-24-19(27)15-8-6-14(7-9-15)17-13-30-18(26-17)12-25-31(28,29)16-4-2-1-3-5-16/h1-9,13,25H,10-12H2,(H,24,27)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
GJE
GJE
表記:4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
組成式:C10 H9 F3 N4 O
SMILES:FC(F)(F)CCNC(=O)c1ccc(cc1)N=[N+]=[N-]
InChi:InChI=1S/C10H9F3N4O/c11-10(12,13)5-6-15-9(18)7-1-3-8(4-2-7)16-17-14/h1-4H,5-6H2,(H,15,18)
定義日:2018-09-17
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
GXE
GXE
表記:benzeneselenol
組成式:C6 H6 Se
SMILES:[SeH]c1ccccc1
InChi:InChI=1S/C6H6Se/c7-6-4-2-1-3-5-6/h1-5,7H
定義日:2018-10-15
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:benzeneselenol
HKN
HKN
表記:~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
組成式:C22 H24 N4 O4 S
SMILES:COc1ncc(cc1N[S](=O)(=O)c2cn(Cc3ccccc3)c(C)n2)C4=CCOCC4
InChi:InChI=1S/C22H24N4O4S/c1-16-24-21(15-26(16)14-17-6-4-3-5-7-17)31(27,28)25-20-12-19(13-23-22(20)29-2)18-8-10-30-11-9-18/h3-8,12-13,15,25H,9-11,14H2,1-2H3
定義日:2018-12-12
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
HKQ
HKQ
表記:~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
組成式:C17 H13 Cl N2 O2 S
SMILES:Clc1ncc(cc1N[S](=O)(=O)c2ccccc2)c3ccccc3
InChi:InChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H
定義日:2018-12-13
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
2VN
2VN
表記:2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
組成式:C29 H46 N2 O3 S
SMILES:O=C(NC1CCCCC1)N(CCc2ccc(SC(C(=O)O)(C)C)cc2)CCCCC3CCCCC3
InChi:InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
定義日:2014-02-26
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
J0Y
J0Y
表記:(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
組成式:C17 H11 F7 N2 O3
SMILES:FC(F)(F)C(F)C(=O)NC(C(=O)NO)c1ccc(cc1)c2cc(F)c(c(c2)F)F
InChi:InChI=1S/C17H11F7N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(15(27)26-29)25-16(28)14(21)17(22,23)24/h1-6,13-14,29H,(H,25,28)(H,26,27)/t13-,14-/m1/s1
定義日:2018-08-03
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
J1G
J1G
表記:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide
組成式:C20 H19 F3 N2 O3
SMILES:N(C(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)C(=O)C3CCCC3
InChi:InChI=1S/C20H19F3N2O3/c21-15-9-14(10-16(22)17(15)23)11-5-7-12(8-6-11)18(20(27)25-28)24-19(26)13-3-1-2-4-13/h5-10,13,18,28H,1-4H2,(H,24,26)(H,25,27)/t18-/m1/s1
定義日:2018-08-03
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide
J1V
J1V
表記:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide
組成式:C21 H21 F3 N2 O3
SMILES:C1C(CCCC1)C(NC(c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO)=O
InChi:InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)18(16)24)12-6-8-13(9-7-12)19(21(28)26-29)25-20(27)14-4-2-1-3-5-14/h6-11,14,19,29H,1-5H2,(H,25,27)(H,26,28)/t19-/m1/s1
定義日:2018-08-03
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide
9ZF
9ZF
表記:1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea
組成式:C17 H19 F3 N2 O
SMILES:C3(NC(Nc1c(F)c(c(F)cc1)F)=O)C2CC4CC(C2)CC3C4
InChi:InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)/t8-,9+,10-,11+,16-
定義日:2018-09-07
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:N-[(1R,3S,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-2-yl]-N'-(2,3,4-trifluorophenyl)urea
J2D
J2D
表記:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
組成式:C20 H19 F3 N2 O4
SMILES:C1COCCC1C(=O)NC(C(=O)NO)c2ccc(cc2)c3cc(F)c(c(c3)F)F
InChi:InChI=1S/C20H19F3N2O4/c21-15-9-14(10-16(22)17(15)23)11-1-3-12(4-2-11)18(20(27)25-28)24-19(26)13-5-7-29-8-6-13/h1-4,9-10,13,18,28H,5-8H2,(H,24,26)(H,25,27)/t18-/m1/s1
定義日:2018-08-03
最終更新日:2018-12-21
公開日:2018-12-26
識別子（ID）:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide

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