Name: AMG 925 HCl
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212972282
Cas No:1401034-19-2
常用名:AMG 925 HCl
IUPAC:2-hydroxy-1-[2-({8-[(1r,4r)-4-methylcyclohexyl]-4,6,8,11-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}amino)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl]ethan-1-one hydrochloride
IUPAC:2-hydroxy-1-[2-({8-[(1r,4r)-4-methylcyclohexyl]-4,6,8,11-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}amino)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-yl]ethan-1-one hydrochloride
InChI key:JJDSFFVYZSLRLY-AELULUIVSA-N

分子式:C26H30ClN7O2
分子量:508.02
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:2.5433826
SMILES:Cl.C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |wU:2.0,wD:5.7,(14.58,,;-4.08,8.21,;-4.08,6.67,;-2.75,5.9,;-2.75,4.36,;-4.08,3.59,;-5.41,4.36,;-5.41,5.9,;-4.08,2.05,;-5.33,1.14,;-6.83,1.46,;-7.86,.32,;-7.39,-1.15,;-5.88,-1.47,;-4.85,-.32,;-3.31,-.32,;-2.28,-1.47,;-.77,-1.15,;-.3,.32,;1.21,.64,;2.24,-.51,;1.76,-1.97,;2.79,-3.11,;4.3,-2.79,;5.33,-3.94,;6.84,-3.62,;7.31,-2.15,;6.28,-1.01,;4.78,-1.33,;3.74,-.19,;7.87,-4.76,;7.39,-6.23,;9.37,-4.44,;10.4,-5.59,;-1.33,1.46,;-2.83,1.14,)|
SMILES:Cl.C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)CO)nc12 |wU:2.0,wD:5.7,(14.58,,;-4.08,8.21,;-4.08,6.67,;-2.75,5.9,;-2.75,4.36,;-4.08,3.59,;-5.41,4.36,;-5.41,5.9,;-4.08,2.05,;-5.33,1.14,;-6.83,1.46,;-7.86,.32,;-7.39,-1.15,;-5.88,-1.47,;-4.85,-.32,;-3.31,-.32,;-2.28,-1.47,;-.77,-1.15,;-.3,.32,;1.21,.64,;2.24,-.51,;1.76,-1.97,;2.79,-3.11,;4.3,-2.79,;5.33,-3.94,;6.84,-3.62,;7.31,-2.15,;6.28,-1.01,;4.78,-1.33,;3.74,-.19,;7.87,-4.76,;7.39,-6.23,;9.37,-4.44,;10.4,-5.59,;-1.33,1.46,;-2.83,1.14,)|

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