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HLS
HLS
表記:3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
組成式:C20 H23 F N4 O3
SMILES:N(C(=O)c1cc(c(F)cc1)CNC2=NCCN2)Cc3cc(cc(c3)OC)OC
InChi:InChI=1S/C20H23FN4O3/c1-27-16-7-13(8-17(10-16)28-2)11-24-19(26)14-3-4-18(21)15(9-14)12-25-20-22-5-6-23-20/h3-4,7-10H,5-6,11-12H2,1-2H3,(H,24,26)(H2,22,23,25)
定義日:2018-07-11
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
KWD
KWD
表記:2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide
組成式:C12 H7 Cl2 N3 O S
SMILES:Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2
InChi:InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)
定義日:2019-01-18
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide
KWP
KWP
表記:~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
組成式:C17 H16 Cl2 N4 O2
SMILES:OCC[CH]1CN(N=C1NC(=O)c2ccncc2)c3ccc(Cl)c(Cl)c3
InChi:InChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)/t12-/m0/s1
定義日:2019-01-22
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
KKY
KKY
表記:6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
組成式:C21 H28 F N3
SMILES:c3(cc(CCC1N(CCC1)C)cc(CCc2cc(cc(N)n2)C)c3)F
InChi:InChI=1S/C21H28FN3/c1-15-10-19(24-21(23)11-15)7-5-16-12-17(14-18(22)13-16)6-8-20-4-3-9-25(20)2/h10-14,20H,3-9H2,1-2H3,(H2,23,24)/t20-/m1/s1
定義日:2019-01-02
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
KL1
KL1
表記:6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
組成式:C19 H25 F2 N3
SMILES:c2(CCc1cc(C)cc(n1)N)cc(CCCN(C)C)cc(c2F)F
InChi:InChI=1S/C19H25F2N3/c1-13-9-16(23-18(22)10-13)7-6-15-11-14(5-4-8-24(2)3)12-17(20)19(15)21/h9-12H,4-8H2,1-3H3,(H2,22,23)
定義日:2019-01-02
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
KL7
KL7
表記:6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
組成式:C19 H25 F2 N3
SMILES:CN(C)CCCc1c(c(c(cc1)F)CCc2cc(cc(n2)N)C)F
InChi:InChI=1S/C19H25F2N3/c1-13-11-15(23-18(22)12-13)7-8-16-17(20)9-6-14(19(16)21)5-4-10-24(2)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,22,23)
定義日:2019-01-02
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
KLD
KLD
表記:6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
組成式:C21 H27 F2 N3
SMILES:c1(cc(cc(c1)CCc2cc(cc(n2)N)C)CCC3CC(CN3C)F)F
InChi:InChI=1S/C21H27F2N3/c1-14-7-19(25-21(24)8-14)5-3-15-9-16(11-17(22)10-15)4-6-20-12-18(23)13-26(20)2/h7-11,18,20H,3-6,12-13H2,1-2H3,(H2,24,25)/t18-,20+/m0/s1
定義日:2019-01-02
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
KLM
KLM
表記:8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
組成式:C26 H28 N6 O4
SMILES:CN(C)CC(COc5ccc(Nc4ncc1c(N(C(C(N1)=O)=O)c3cc2CCCc2cc3)n4)cc5)O
InChi:InChI=1S/C26H28N6O4/c1-31(2)14-20(33)15-36-21-10-7-18(8-11-21)28-26-27-13-22-23(30-26)32(25(35)24(34)29-22)19-9-6-16-4-3-5-17(16)12-19/h6-13,20,33H,3-5,14-15H2,1-2H3,(H,29,34)(H,27,28,30)/t20-/m0/s1
定義日:2019-01-02
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
KLP
KLP
表記:N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
組成式:C21 H22 N4 O3 S
SMILES:CS(=O)(=O)NC4=CC3=CC=1C(N=NC=1NCc2c(cccc2C)C)=C3C=C4OC
InChi:InChI=1S/C21H22N4O3S/c1-12-6-5-7-13(2)17(12)11-22-21-16-8-14-9-18(25-29(4,26)27)19(28-3)10-15(14)20(16)23-24-21/h5-10,25H,11H2,1-4H3,(H,22,24)
定義日:2019-01-02
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
KLY
KLY
表記:6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
組成式:C18 H20 F N3
SMILES:c2(cc(CCc1cc(C)cc(N)n1)cc(c2)F)C#CCNC
InChi:InChI=1S/C18H20FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,5-7H2,1-2H3,(H2,20,22)
定義日:2019-01-02
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
KM7
KM7
表記:6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
組成式:C19 H22 F N3
SMILES:c2(cc(C)cc(CCc1cc(F)cc(c1)C#CCN(C)C)n2)N
InChi:InChI=1S/C19H22FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,6-8H2,1-3H3,(H2,21,22)
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
KMD
KMD
表記:6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
組成式:C21 H28 F N3
SMILES:c3(cc(C)cc(CCc1cc(F)cc(c1)CCC2CCCN2C)n3)N
InChi:InChI=1S/C21H28FN3/c1-15-10-19(24-21(23)11-15)7-5-16-12-17(14-18(22)13-16)6-8-20-4-3-9-25(20)2/h10-14,20H,3-9H2,1-2H3,(H2,23,24)/t20-/m0/s1
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
KMJ
KMJ
表記:6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine
組成式:C19 H25 F2 N3
SMILES:c2(cc(C)cc(CCc1c(F)c(cc(c1)F)CCCN(C)C)n2)N
InChi:InChI=1S/C19H25F2N3/c1-13-9-17(23-18(22)10-13)7-6-15-12-16(20)11-14(19(15)21)5-4-8-24(2)3/h9-12H,4-8H2,1-3H3,(H2,22,23)
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine
KMM
KMM
表記:6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
組成式:C19 H24 F3 N3
SMILES:c2(CCc1cc(C)cc(n1)N)c(c(CCCN(C)C)cc(c2F)F)F
InChi:InChI=1S/C19H24F3N3/c1-12-9-14(24-17(23)10-12)6-7-15-18(21)13(5-4-8-25(2)3)11-16(20)19(15)22/h9-11H,4-8H2,1-3H3,(H2,23,24)
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
KMS
KMS
表記:6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
組成式:C19 H24 F3 N3
SMILES:c2(cc(C)cc(CCc1c(F)c(F)c(c(c1)CCCN(C)C)F)n2)N
InChi:InChI=1S/C19H24F3N3/c1-12-9-15(24-16(23)10-12)7-6-14-11-13(5-4-8-25(2)3)17(20)19(22)18(14)21/h9-11H,4-8H2,1-3H3,(H2,23,24)
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
KMV
KMV
表記:6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
組成式:C18 H19 F2 N3
SMILES:c2(cc(C)cc(CCc1c(F)c(F)cc(c1)C#CCNC)n2)N
InChi:InChI=1S/C18H19F2N3/c1-12-8-15(23-17(21)9-12)6-5-14-10-13(4-3-7-22-2)11-16(19)18(14)20/h8-11,22H,5-7H2,1-2H3,(H2,21,23)
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
KN4
KN4
表記:6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
組成式:C21 H27 F2 N3
SMILES:c1(F)c(F)cc(cc1CCc2cc(cc(n2)N)C)CCC3CCCN3C
InChi:InChI=1S/C21H27F2N3/c1-14-10-17(25-20(24)11-14)7-6-16-12-15(13-19(22)21(16)23)5-8-18-4-3-9-26(18)2/h10-13,18H,3-9H2,1-2H3,(H2,24,25)/t18-/m0/s1
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
KND
KND
表記:6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
組成式:C21 H27 F2 N3 O
SMILES:c1c(c(F)c(cc1CCC2COCCN2C)CCc3cc(cc(n3)N)C)F
InChi:InChI=1S/C21H27F2N3O/c1-14-9-17(25-20(24)10-14)5-4-16-11-15(12-19(22)21(16)23)3-6-18-13-27-8-7-26(18)2/h9-12,18H,3-8,13H2,1-2H3,(H2,24,25)/t18-/m0/s1
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
KNS
KNS
表記:6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
組成式:C23 H31 F2 N3 O
SMILES:c1(F)c(F)cc(cc1CCc2cc(cc(n2)N)C)CCC3CC(CN3C)OCC
InChi:InChI=1S/C23H31F2N3O/c1-4-29-20-13-19(28(3)14-20)8-5-16-11-17(23(25)21(24)12-16)6-7-18-9-15(2)10-22(26)27-18/h9-12,19-20H,4-8,13-14H2,1-3H3,(H2,26,27)/t19-,20+/m0/s1
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
KNV
KNV
表記:6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
組成式:C20 H25 F2 N3
SMILES:c2(CCc1cc(cc(n1)N)C)c(F)c(F)cc(c2)CCC3CCN3C
InChi:InChI=1S/C20H25F2N3/c1-13-9-16(24-19(23)10-13)5-4-15-11-14(12-18(21)20(15)22)3-6-17-7-8-25(17)2/h9-12,17H,3-8H2,1-2H3,(H2,23,24)/t17-/m0/s1
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
KPJ
KPJ
表記:6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
組成式:C21 H27 F2 N3
SMILES:c3(CCc1cc(cc(N)n1)C)cc(CCC2CCCN2C)cc(c3F)F
InChi:InChI=1S/C21H27F2N3/c1-14-10-17(25-20(24)11-14)7-6-16-12-15(13-19(22)21(16)23)5-8-18-4-3-9-26(18)2/h10-13,18H,3-9H2,1-2H3,(H2,24,25)/t18-/m1/s1
定義日:2019-01-03
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
JHN
JHN
表記:(3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione
組成式:C24 H28 N6 O3
SMILES:O=C1C=CC2=C3N1C[CH](CN4CCC(CC4)NCc5cc6CCCOc6cn5)N3C(=O)C=N2
InChi:InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1
定義日:2019-02-26
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:(3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione
LJS
LJS
表記:(2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid
組成式:C13 H18 N2 O10 P2
SMILES:N1C(C)=C(O)C(C(=C1)COP(O)(=O)O)=[C@H]N=C(C(O)=O)[C@H]=[C@H]CP(O)(=O)O
InChi:InChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5-6,14,16H,4,7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2-,10-6-,15-11+
定義日:2019-02-25
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:(2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid
9KF
9KF
表記:ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate
組成式:C18 H18 O3
SMILES:CCOC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2
InChi:InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3/t13-/m0/s1
定義日:2018-05-21
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:ethyl (2S)-2-[3-(benzenecarbonyl)phenyl]propanoate
9X0
9X0
表記:N-(cyclohexylmethyl)-4-oxo-4H-1-benzopyran-2-carboxamide
組成式:C17 H19 N O3
SMILES:c13c(cccc1)C(=O)C=C(C(NCC2CCCCC2)=O)O3
InChi:InChI=1S/C17H19NO3/c19-14-10-16(21-15-9-5-4-8-13(14)15)17(20)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,20)
定義日:2018-08-22
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:N-(cyclohexylmethyl)-4-oxo-4H-1-benzopyran-2-carboxamide

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