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GA5
GA5
表記:tert-butyl [(1R,4S)-4-hydroxy-7-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
組成式:C37 H49 N3 O8 S
SMILES:O(C)c1ccc(cc1)S(=O)(N(CC(O)C(NC(c3ccc2C(O)CCC(c2c3)NC(=O)OC(C)(C)C)=O)Cc4ccccc4)CC(C)C)=O
InChi:InChI=1S/C37H49N3O8S/c1-24(2)22-40(49(45,46)28-15-13-27(47-6)14-16-28)23-34(42)32(20-25-10-8-7-9-11-25)38-35(43)26-12-17-29-30(21-26)31(18-19-33(29)41)39-36(44)48-37(3,4)5/h7-17,21,24,31-34,41-42H,18-20,22-23H2,1-6H3,(H,38,43)(H,39,44)/t31-,32+,33+,34-/m1/s1
定義日:2018-06-25
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:tert-butyl [(1R,4S)-4-hydroxy-7-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
GA8
GA8
表記:tert-butyl [(4S)-6-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamate
組成式:C36 H47 N3 O7 S2
SMILES:COc1ccc(cc1)S(=O)(N(CC(O)C(NC(c3ccc2SCCC(c2c3)NC(=O)OC(C)(C)C)=O)Cc4ccccc4)CC(C)C)=O
InChi:InChI=1S/C36H47N3O7S2/c1-24(2)22-39(48(43,44)28-15-13-27(45-6)14-16-28)23-32(40)31(20-25-10-8-7-9-11-25)37-34(41)26-12-17-33-29(21-26)30(18-19-47-33)38-35(42)46-36(3,4)5/h7-17,21,24,30-32,40H,18-20,22-23H2,1-6H3,(H,37,41)(H,38,42)/t30-,31-,32+/m0/s1
定義日:2018-06-25
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:tert-butyl [(4S)-6-{[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamate
J2M
J2M
表記:N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
組成式:C19 H16 F N5 O2
SMILES:N1CCc4c(C1=O)c(c2cnc(cc2)F)c(c3cc(ncc3)NC(=O)C)n4
InChi:InChI=1S/C19H16FN5O2/c1-10(26)24-15-8-11(4-6-21-15)18-16(12-2-3-14(20)23-9-12)17-13(25-18)5-7-22-19(17)27/h2-4,6,8-9,25H,5,7H2,1H3,(H,22,27)(H,21,24,26)
定義日:2018-08-06
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
J2V
J2V
表記:N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
組成式:C20 H17 N5 O2
SMILES:c4c(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc(n4)OC
InChi:InChI=1S/C20H17N5O2/c1-12(26)24-16-10-13(7-9-21-16)19-18(14-5-6-17(27-2)23-11-14)20-15(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)
定義日:2018-08-06
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
J2Y
J2Y
表記:N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
組成式:C20 H17 N5 O2
SMILES:c4nc(c2c1c(cccn1)nc2c3cc(ncc3)NC(=O)C)ccc4OC
InChi:InChI=1S/C20H17N5O2/c1-12(26)24-17-10-13(7-9-21-17)19-18(15-6-5-14(27-2)11-23-15)20-16(25-19)4-3-8-22-20/h3-11,25H,1-2H3,(H,21,24,26)
定義日:2018-08-06
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
J7G
J7G
表記:3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid
組成式:C20 H13 Cl N4 O3
SMILES:C(=O)(Nc2cc(C#Cc1cccc(c1)C(O)=O)ncc2)Nc3cc(Cl)ncc3
InChi:InChI=1S/C20H13ClN4O3/c21-18-12-17(7-9-23-18)25-20(28)24-16-6-8-22-15(11-16)5-4-13-2-1-3-14(10-13)19(26)27/h1-3,6-12H,(H,26,27)(H2,22,23,24,25,28)
定義日:2018-08-20
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid
J7J
J7J
表記:N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
組成式:C18 H13 Br Cl N5 O2 S
SMILES:c1c(ncc(c1NC(=O)Nc2c(c(ns2)C#Cc3cc(CO)ccc3)Br)N)Cl
InChi:InChI=1S/C18H13BrClN5O2S/c19-16-13(5-4-10-2-1-3-11(6-10)9-26)25-28-17(16)24-18(27)23-14-7-15(20)22-8-12(14)21/h1-3,6-8,26H,9,21H2,(H2,22,23,24,27)
定義日:2018-08-20
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
GKW
GKW
表記:1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide
組成式:C17 H16 N2 O3
SMILES:COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
InChi:InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
定義日:2018-09-25
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide
GM5
GM5
表記:~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide
組成式:C16 H14 N4 O2 S
SMILES:ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2
InChi:InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
定義日:2018-09-28
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide
GOK
GOK
表記:2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide
組成式:C21 H26 N6 O2
SMILES:Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14
InChi:InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
定義日:2018-10-01
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide
GOW
GOW
表記:3-benzamido-4-methyl-~{N}-oxidanyl-benzamide
組成式:C15 H14 N2 O3
SMILES:Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO
InChi:InChI=1S/C15H14N2O3/c1-10-7-8-12(15(19)17-20)9-13(10)16-14(18)11-5-3-2-4-6-11/h2-9,20H,1H3,(H,16,18)(H,17,19)
定義日:2018-10-02
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:3-benzamido-4-methyl-~{N}-oxidanyl-benzamide
GQE
GQE
表記:3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide
組成式:C15 H14 N2 O4
SMILES:COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO
InChi:InChI=1S/C15H14N2O4/c1-21-13-8-7-11(15(19)17-20)9-12(13)16-14(18)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,16,18)(H,17,19)
定義日:2018-10-03
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide
GQN
GQN
表記:4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
組成式:C21 H18 N2 O4
SMILES:COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO
InChi:InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)
定義日:2018-10-04
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
GQW
GQW
表記:~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
組成式:C16 H11 Cl N2 O3 S
SMILES:ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)c1
InChi:InChI=1S/C16H11ClN2O3S/c17-12-5-4-10(15(20)19-22)8-13(12)18-16(21)11-3-1-2-9-6-7-23-14(9)11/h1-8,22H,(H,18,21)(H,19,20)
定義日:2018-10-04
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
GQZ
GQZ
表記:~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide
組成式:C14 H12 N2 O3
SMILES:ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2
InChi:InChI=1S/C14H12N2O3/c17-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(18)16-19/h1-9,19H,(H,15,17)(H,16,18)
定義日:2018-10-04
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide
GRK
GRK
表記:4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
組成式:C16 H16 N2 O4
SMILES:COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO
InChi:InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)
定義日:2018-10-05
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
GRZ
GRZ
表記:1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
組成式:C15 H10 Cl F N4 O3
SMILES:ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3
InChi:InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22)
定義日:2018-10-08
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
E5H
E5H
表記:2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide
組成式:C22 H28 N2 O2
SMILES:O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3
InChi:InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)
定義日:2018-02-20
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide
E5K
E5K
表記:1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
組成式:C26 H35 N3 O3
SMILES:CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(OC)cc4
InChi:InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3
定義日:2018-02-20
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
JXV
JXV
表記:(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
組成式:C20 H19 N3 O3
SMILES:c1(ccc2c(c1)OCCO2)c3cc(ncn3)NCC(O)c4ccccc4
InChi:InChI=1S/C20H19N3O3/c24-17(14-4-2-1-3-5-14)12-21-20-11-16(22-13-23-20)15-6-7-18-19(10-15)26-9-8-25-18/h1-7,10-11,13,17,24H,8-9,12H2,(H,21,22,23)/t17-/m0/s1
定義日:2018-10-15
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
FO7
FO7
表記:{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
組成式:C14 H9 Br Cl F3 O4 S
SMILES:Brc1c(CO)c(ccc1Oc2cc(Cl)cc(c2)F)S(=O)(=O)C(F)F
InChi:InChI=1S/C14H9BrClF3O4S/c15-13-10(6-20)12(24(21,22)14(18)19)2-1-11(13)23-9-4-7(16)3-8(17)5-9/h1-5,14,20H,6H2
定義日:2018-04-11
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
FOJ
FOJ
表記:3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
組成式:C16 H8 F5 N O4 S
SMILES:N#Cc1cc(cc(c1)F)Oc3ccc2S(=O)(=O)C(F)(F)C(c2c3C(F)F)O
InChi:InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
定義日:2018-04-11
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
GT2
GT2
表記:4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide
組成式:C14 H9 Cl3 N2 O3
SMILES:ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1
InChi:InChI=1S/C14H9Cl3N2O3/c15-8-2-3-9(11(17)6-8)14(21)18-12-5-7(13(20)19-22)1-4-10(12)16/h1-6,22H,(H,18,21)(H,19,20)
定義日:2018-10-08
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide
DN7
DN7
表記:4-[(pyridin-2-yl)oxy]benzoic acid
組成式:C12 H9 N O3
SMILES:c1cc(ccc1C(O)=O)Oc2ccccn2
InChi:InChI=1S/C12H9NO3/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)
定義日:2017-10-31
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:4-[(pyridin-2-yl)oxy]benzoic acid
F2J
F2J
表記:N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide
組成式:C18 H20 N4 S
SMILES:c4(/C(Nc1cc2c(cc1)n(cc2)C3CCNCC3)=N)cccs4
InChi:InChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21)
定義日:2018-02-26
最終更新日:2018-10-26
公開日:2018-10-31
識別子（ID）:N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide

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