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5XD
5XD
表記:4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide
組成式:C18 H21 N3 O4 S
SMILES:CCc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2OC
InChi:InChI=1S/C18H21N3O4S/c1-5-12-6-8-13(9-7-12)26(23,24)19-14-10-15-16(11-17(14)25-4)21(3)18(22)20(15)2/h6-11,19H,5H2,1-4H3
定義日:2015-12-20
最終更新日:2015-12-24
公開日:2015-12-29
識別子（ID）:4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide
UP8
UP8
表記:3-AMINOBENZENE-1,2-DICARBOXYLIC ACID
組成式:C8 H7 N O4
SMILES:Nc1cccc(C(O)=O)c1C(O)=O
InChi:InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
定義日:2015-12-02
最終更新日:2015-12-18
公開日:2015-12-23
識別子（ID）:3-azanylphthalic acid
UFV
UFV
表記:3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
組成式:C7 H6 Br F3 N2
SMILES:Nc1cc(cc(Br)c1N)C(F)(F)F
InChi:InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
定義日:2015-09-10
最終更新日:2015-12-11
公開日:2015-12-16
識別子（ID）:3-bromanyl-5-(trifluoromethyl)benzene-1,2-diamine
48Q
48Q
表記:~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide
組成式:C39 H52 N4 O4
SMILES:CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(=Cc2ccccc2)[CH](O)CNC(C)(C)c3cccc(OC)c3)N4CCCCC4
InChi:InChI=1S/C39H52N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,23-27,36,40,44H,6-7,9,12-13,19-22,28H2,1-5H3,(H,41,45)/b35-23-/t36-/m1/s1
定義日:2015-02-13
最終更新日:2015-12-04
公開日:2015-12-09
識別子（ID）:~{N}1-[(~{Z},3~{R})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{N}3,~{N}3-dipropyl-benzene-1,3-dicarboxamide
49W
49W
表記:N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide
組成式:C37 H47 N5 O3
SMILES:O=C(NC(Cc1ccccc1)C(O)CNC(c2ncccc2)(C)C)c3cc(cc(C(=O)N(CCC)CCC)c3)N4C=CC=CC4
InChi:InChI=1S/C37H47N5O3/c1-5-19-42(20-6-2)36(45)30-24-29(25-31(26-30)41-21-13-8-14-22-41)35(44)40-32(23-28-15-9-7-10-16-28)33(43)27-39-37(3,4)34-17-11-12-18-38-34/h7-18,21,24-26,32-33,39,43H,5-6,19-20,22-23,27H2,1-4H3,(H,40,44)/t32-,33-/m0/s1
定義日:2015-02-18
最終更新日:2015-12-04
公開日:2015-12-09
識別子（ID）:N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide
520
520
表記:4'-(4-aminobenzoyl)biphenyl-4-sulfonamide
組成式:C19 H16 N2 O3 S
SMILES:c1c(ccc(c1)N)C(c2ccc(cc2)c3ccc(S(=O)(=O)N)cc3)=O
InChi:InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)
定義日:2015-07-15
最終更新日:2015-10-30
公開日:2015-11-04
識別子（ID）:4'-(4-aminobenzoyl)biphenyl-4-sulfonamide
4KU
4KU
表記:2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}
組成式:C16 H20 N2 O6 S4
SMILES:OS(=O)(c1c(ccc(c1)NCS)CCc2ccc(NCS)cc2S(=O)(O)=O)=O
InChi:InChI=1S/C16H20N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h3-8,17-18,25-26H,1-2,9-10H2,(H,19,20,21)(H,22,23,24)
定義日:2015-04-01
最終更新日:2015-10-30
公開日:2015-11-04
識別子（ID）:2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}
1OO
1OO
表記:N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide
組成式:C21 H11 Cl F5 N3 O3 S
SMILES:FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc2ccc(F)c(c2F)C(=O)c4c3cc(Cl)cnc3nc4
InChi:InChI=1S/C21H11ClF5N3O3S/c22-11-7-13-14(9-29-20(13)28-8-11)19(31)17-15(23)5-6-16(18(17)24)30-34(32,33)12-3-1-10(2-4-12)21(25,26)27/h1-9,30H,(H,28,29)
定義日:2013-04-11
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide
4Z8
4Z8
表記:2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide
組成式:C19 H26 N8 O
SMILES:c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)NCC(C(=O)N)(C)C
InChi:InChI=1S/C19H26N8O/c1-11(2)27-12(3)24-13-9-22-16(8-14(13)27)25-15-6-7-21-18(26-15)23-10-19(4,5)17(20)28/h6-9,11H,10H2,1-5H3,(H2,20,28)(H2,21,22,23,25,26)
定義日:2015-06-30
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide
XYW
XYW
表記:2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
組成式:C30 H26 F2 N6 O5 S3
SMILES:C[S](=O)(=O)c1cccc(Nc2nccc(n2)c3sc(nc3c4cccc(N[S](=O)(=O)c5c(F)cccc5F)c4)N6CCOCC6)c1
InChi:InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)
定義日:2015-09-24
最終更新日:2015-10-16
公開日:2015-10-21
識別子（ID）:2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
U7E
U7E
表記:5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE
組成式:C7 H7 N5 O2 S
SMILES:N[S](=O)(=O)c1cccc(c1)c2[nH]nnn2
InChi:InChI=1S/C7H7N5O2S/c8-15(13,14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H2,8,13,14)(H,9,10,11,12)
定義日:2015-06-30
最終更新日:2015-10-16
公開日:2015-10-21
識別子（ID）:3-(1H-1,2,3,4-tetrazol-5-yl)benzenesulfonamide
D7E
D7E
表記:4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
組成式:C18 H17 Cl F3 N3 O2 S
SMILES:CCn1c(nc2ccc(cc12)C(F)(F)F)[CH](C)N[S](=O)(=O)c3ccc(Cl)cc3
InChi:InChI=1S/C18H17ClF3N3O2S/c1-3-25-16-10-12(18(20,21)22)4-9-15(16)23-17(25)11(2)24-28(26,27)14-7-5-13(19)6-8-14/h4-11,24H,3H2,1-2H3/t11-/m1/s1
定義日:2015-07-13
最終更新日:2015-10-16
公開日:2015-10-21
識別子（ID）:4-chloranyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
4CV
4CV
表記:3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide
組成式:C17 H19 Br N6 O3 S
SMILES:c2(N1CCOCC1)ccc(S(NC)(=O)=O)cc2Nc4c3c(Br)cnc3ncn4
InChi:InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
定義日:2015-02-28
最終更新日:2015-09-18
公開日:2015-09-23
識別子（ID）:3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide
4CW
4CW
表記:N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide
組成式:C12 H12 N6 O2 S
SMILES:N(c1cccc(c1)S(NC)(=O)=O)c2ncnc3c2ncn3
InChi:InChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18)
定義日:2015-02-28
最終更新日:2015-09-18
公開日:2015-09-23
識別子（ID）:N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide
Y4L
Y4L
表記:((4-Chlorophenyl)sulfamoyl))dimethylamine
組成式:C8 H11 Cl N2 O2 S
SMILES:Clc1ccc(NS(=O)(=O)N(C)C)cc1
InChi:InChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)10-8-5-3-7(9)4-6-8/h3-6,10H,1-2H3
定義日:2015-02-06
最終更新日:2015-09-12
公開日:2015-08-26
識別子（ID）:N'-(4-chlorophenyl)-N,N-dimethylsulfuric diamide
BYD
BYD
表記:N,N'-dihydroxybenzene-1,4-dicarboxamide
組成式:C8 H8 N2 O4
SMILES:c1cc(ccc1C(NO)=O)C(NO)=O
InChi:InChI=1S/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)
定義日:2015-07-17
最終更新日:2015-09-04
公開日:2015-09-09
識別子（ID）:N,N'-dihydroxybenzene-1,4-dicarboxamide
H8N
H8N
表記:4-hydroxybenzonitrile
組成式:C7 H5 N O
SMILES:N#Cc1ccc(cc1)O
InChi:InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
定義日:2015-05-28
最終更新日:2015-08-28
公開日:2015-09-02
識別子（ID）:4-hydroxybenzonitrile
4K9
4K9
表記:4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide
組成式:C16 H16 N2 O3 S
SMILES:c1cccc3c1N(C(c2ccc(S(=O)(=O)N)cc2)=O)CCC3
InChi:InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21)
定義日:2015-03-27
最終更新日:2015-08-21
公開日:2015-08-26
識別子（ID）:4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide
4KB
4KB
表記:4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide
組成式:C16 H16 N2 O5 S
SMILES:c1c(c(cc3c1CN(C(c2ccc(cc2)S(=O)(N)=O)=O)CC3)O)O
InChi:InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23)
定義日:2015-03-27
最終更新日:2015-08-21
公開日:2015-08-26
識別子（ID）:4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide
4KC
4KC
表記:4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide
組成式:C16 H16 N2 O3 S
SMILES:c1cccc3c1CN(C(c2ccc(cc2)S(=O)(=O)N)=O)CC3
InChi:InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21)
定義日:2015-03-27
最終更新日:2015-08-21
公開日:2015-08-26
識別子（ID）:4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide
4KD
4KD
表記:4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide
組成式:C18 H20 N2 O5 S
SMILES:COc1cc2CCN(Cc2cc1OC)C(=O)c3ccc(cc3)[S](N)(=O)=O
InChi:InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23)
定義日:2015-03-27
最終更新日:2015-08-21
公開日:2015-08-26
識別子（ID）:4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide
4SX
4SX
表記:3,4-dihydroxybenzenesulfonic acid
組成式:C6 H6 O5 S
SMILES:O=S(c1cc(c(cc1)O)O)(O)=O
InChi:InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)
定義日:2015-04-07
最終更新日:2015-08-21
公開日:2015-08-26
識別子（ID）:3,4-dihydroxybenzenesulfonic acid
DF5
DF5
表記:6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium
組成式:C17 H15 N2 O4 S
SMILES:O=S(=O)(N)c1ccc(cc1)C(=O)[n+]2cccc3c2ccc(c3)OC
InChi:InChI=1S/C17H15N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h2-11H,1H3,(H2,18,21,22)/q+1
定義日:2015-03-27
最終更新日:2015-08-21
公開日:2015-08-26
識別子（ID）:6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium
WM3
WM3
表記:benzenesulfonohydrazide
組成式:C6 H8 N2 O2 S
SMILES:O=S(=O)(NN)c1ccccc1
InChi:InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
定義日:2013-10-16
最終更新日:2015-08-07
公開日:2015-08-12
識別子（ID）:benzenesulfonohydrazide
51D
51D
表記:3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
組成式:C14 H7 Cl F N5
SMILES:c1(c(cc(cc1Cl)C#N)c2ncnc(c2)n3cccn3)F
InChi:InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
定義日:2015-07-09
最終更新日:2015-08-07
公開日:2015-08-12
識別子（ID）:3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile

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