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YSP
YSP
表記:5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
組成式:C28 H21 Cl N4 O4
SMILES:Cc1ccccc1COc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChi:InChI=1S/C28H21ClN4O4/c1-17-5-2-3-6-18(17)16-37-23-10-19(9-21(29)12-23)24-11-20(25-14-31-28(36)32-26(25)34)15-33(27(24)35)22-7-4-8-30-13-22/h2-15H,16H2,1H3,(H2,31,32,34,36)
定義日:2021-03-30
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
V4Y
V4Y
表記:7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C25 H27 N5 O
SMILES:c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
WZ7
WZ7
表記:2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
組成式:C11 H13 N3 O
SMILES:c2cnc(NC1CC=CC1)cc2C(=O)N
InChi:InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)
定義日:2020-11-18
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
V54
V54
表記:7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C23 H23 N5 O
SMILES:c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
V57
V57
表記:7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C24 H24 N4 O
SMILES:c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N
InChi:InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
WZM
WZM
表記:6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
組成式:C10 H14 N4 O
SMILES:c1(ccc(nn1)N(C)C2CCC2)C(=O)N
InChi:InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15)
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
V5D
V5D
表記:7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
組成式:C26 H29 N5 O
SMILES:c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N
InChi:InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
WZP
WZP
表記:2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
組成式:C11 H22 N2 O
SMILES:C1CN(C(C(C)C)=O)CCN1C(C)C
InChi:InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
V5G
V5G
表記:7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
組成式:C23 H22 N4 O
SMILES:c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27)
定義日:2020-06-26
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
WZS
WZS
表記:1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
組成式:C15 H22 N2 O
SMILES:c2c(CCNC1CCN(C(C)=O)CC1)cccc2
InChi:InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
XWJ
XWJ
表記:N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide
組成式:C25 H25 N5 O2
SMILES:Cc1c(NC(C)=O)cc(cc1)NC(=O)c4ccc2c(c(nn2C)c3ccc(cc3C)N)c4
InChi:InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32)
定義日:2021-01-15
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide
XWP
XWP
表記:N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
組成式:C32 H30 N6 O3
SMILES:CNC(c1ccc(cc1)C(Nc2cc(ccc2C)NC(c5ccc4c(c(c3ccc(cc3C)N)nn4C)c5)=O)=O)=O
InChi:InChI=1S/C32H30N6O3/c1-18-5-12-24(17-27(18)36-31(40)21-8-6-20(7-9-21)30(39)34-3)35-32(41)22-10-14-28-26(16-22)29(37-38(28)4)25-13-11-23(33)15-19(25)2/h5-17H,33H2,1-4H3,(H,34,39)(H,35,41)(H,36,40)
定義日:2021-01-17
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
YTJ
YTJ
表記:2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile
組成式:C26 H20 Cl N3 O3
SMILES:N#Cc1ccccc1C1=CN(c2cnccc2)C(=O)C(=C1)c1cc(OCCOC)cc(Cl)c1
InChi:InChI=1S/C26H20ClN3O3/c1-32-9-10-33-23-12-19(11-21(27)14-23)25-13-20(24-7-3-2-5-18(24)15-28)17-30(26(25)31)22-6-4-8-29-16-22/h2-8,11-14,16-17H,9-10H2,1H3
定義日:2021-03-31
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile
WZY
WZY
表記:N-(4-methoxyphenyl)glycinamide
組成式:C9 H12 N2 O2
SMILES:N(c1ccc(cc1)OC)C(CN)=O
InChi:InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:N-(4-methoxyphenyl)glycinamide
YTM
YTM
表記:5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
組成式:C28 H21 Cl N4 O4
SMILES:O=C1NC=C(C2=CN(c3cnccc3)C(=O)C(=C2)c2cc(OCCc3ccccc3)cc(Cl)c2)C(=O)N1
InChi:InChI=1S/C28H21ClN4O4/c29-21-11-19(12-23(14-21)37-10-8-18-5-2-1-3-6-18)24-13-20(25-16-31-28(36)32-26(25)34)17-33(27(24)35)22-7-4-9-30-15-22/h1-7,9,11-17H,8,10H2,(H2,31,32,34,36)
定義日:2021-03-31
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
YTS
YTS
表記:5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
組成式:C26 H23 Cl N6 O5
SMILES:O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(OCCN2CC(=O)NCC2)cc(Cl)c1
InChi:InChI=1S/C26H23ClN6O5/c27-18-8-16(9-20(11-18)38-7-6-32-5-4-29-23(34)15-32)21-10-17(22-13-30-26(37)31-24(22)35)14-33(25(21)36)19-2-1-3-28-12-19/h1-3,8-14H,4-7,15H2,(H,29,34)(H2,30,31,35,37)
定義日:2021-03-31
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
YTV
YTV
表記:5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
組成式:C25 H23 Cl N4 O5
SMILES:CC(C)(O)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChi:InChI=1S/C25H23ClN4O5/c1-25(2,34)5-7-35-19-9-15(8-17(26)11-19)20-10-16(21-13-28-24(33)29-22(21)31)14-30(23(20)32)18-4-3-6-27-12-18/h3-4,6,8-14,34H,5,7H2,1-2H3,(H2,28,29,31,33)
定義日:2021-03-31
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
YU4
YU4
表記:5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
組成式:C23 H16 Cl F3 N4 O4
SMILES:FC(F)(F)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O
InChi:InChI=1S/C23H16ClF3N4O4/c24-15-6-13(7-17(9-15)35-5-3-23(25,26)27)18-8-14(19-11-29-22(34)30-20(19)32)12-31(21(18)33)16-2-1-4-28-10-16/h1-2,4,6-12H,3,5H2,(H2,29,30,32,34)
定義日:2021-03-31
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione
X0G
X0G
表記:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
組成式:C10 H15 N3 O2
SMILES:C3N(Cc1nc(no1)C2CC2)CCOC3
InChi:InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
X0M
X0M
表記:N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
組成式:C11 H14 N2 O
SMILES:c2c1CC(CNc1ccc2)NC(C)=O
InChi:InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
X0S
X0S
表記:2-chloro-N-methylbenzene-1-sulfonamide
組成式:C7 H8 Cl N O2 S
SMILES:c1c(S(NC)(=O)=O)c(Cl)ccc1
InChi:InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
定義日:2020-11-19
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-chloro-N-methylbenzene-1-sulfonamide
X1G
X1G
表記:N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
組成式:C13 H17 N O3
SMILES:c1cc(CNC(CC(C)C)=O)cc2c1OCO2
InChi:InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15)
定義日:2020-11-20
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
X1M
X1M
表記:1-(6-methoxypyridin-2-yl)-N-methylmethanamine
組成式:C8 H12 N2 O
SMILES:c1(nc(OC)ccc1)CNC
InChi:InChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3
定義日:2020-11-20
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:1-(6-methoxypyridin-2-yl)-N-methylmethanamine
JGW
JGW
表記:2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one
組成式:C24 H18 F3 N O2
SMILES:CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1
定義日:2019-02-25
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one
JHB
JHB
表記:7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one
組成式:C24 H17 Cl F3 N O2
SMILES:CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C24H17ClF3NO2/c1-14-22(29-21-13-18(25)8-11-20(21)23(14)30)17-6-2-15(3-7-17)12-16-4-9-19(10-5-16)31-24(26,27)28/h2-11,13H,12H2,1H3,(H,29,30)
定義日:2019-02-25
最終更新日:2021-06-25
公開日:2021-06-30
識別子（ID）:7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one

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件を2024-09-11に公開中

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