Name: CGP71683 hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212034172
Cas No:192322-50-2
常用名:CGP71683 hydrochloride
别名:盐酸CGP71683, CGP71683A
IUPAC:N-{[(1r,4r)-4-{[(4-aminoquinazolin-2-yl)amino]methyl}cyclohexyl]methyl}naphthalene-1-sulfonamide hydrochloride
IUPAC:N-{[(1r,4r)-4-{[(4-aminoquinazolin-2-yl)amino]methyl}cyclohexyl]methyl}naphthalene-1-sulfonamide hydrochloride
InChI key:DIQDKUNCSVFGHH-VPLSKCCHSA-N

分子式:C26H30ClN5O2S
分子量:512.07
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:4.695742
SMILES:Cl.Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:10.9,wD:7.5,(13.24,,;5.49,7.43,;5.49,5.89,;4.16,5.12,;4.16,3.58,;2.83,2.81,;2.83,1.27,;1.49,.5,;.16,1.27,;-1.17,.5,;-1.17,-1.04,;-2.51,-1.81,;-3.84,-1.04,;-5.17,-1.81,;-4.4,-3.15,;-5.94,-.48,;-6.51,-2.58,;-7.84,-1.81,;-9.18,-2.58,;-9.18,-4.12,;-7.84,-4.89,;-7.84,-6.43,;-6.51,-7.2,;-5.17,-6.43,;-5.17,-4.89,;-6.51,-4.12,;.16,-1.81,;1.49,-1.04,;5.49,2.81,;6.83,3.58,;8.16,2.81,;9.5,3.58,;9.5,5.12,;8.16,5.89,;6.83,5.12,)|
SMILES:Cl.Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:10.9,wD:7.5,(13.24,,;5.49,7.43,;5.49,5.89,;4.16,5.12,;4.16,3.58,;2.83,2.81,;2.83,1.27,;1.49,.5,;.16,1.27,;-1.17,.5,;-1.17,-1.04,;-2.51,-1.81,;-3.84,-1.04,;-5.17,-1.81,;-4.4,-3.15,;-5.94,-.48,;-6.51,-2.58,;-7.84,-1.81,;-9.18,-2.58,;-9.18,-4.12,;-7.84,-4.89,;-7.84,-6.43,;-6.51,-7.2,;-5.17,-6.43,;-5.17,-4.89,;-6.51,-4.12,;.16,-1.81,;1.49,-1.04,;5.49,2.81,;6.83,3.58,;8.16,2.81,;9.5,3.58,;9.5,5.12,;8.16,5.89,;6.83,5.12,)|

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