AY 9944
HIT212669393
sdf文件结构编辑类似物检索
HIT ID: HIT212669393
Cas No: 366-93-8
分子式: C22H30Cl4N2
分子量: 464.3
常用名: AY 9944
氢键受体数 (HBA): 2
氢键供体数 (HBD): 2
LogP: 5.832433
IUPAC: [(2-chlorophenyl)methyl]({[(1r,4r)-4-({[(2-chlorophenyl)methyl]amino}methyl)cyclohexyl]methyl})amine dihydrochloride
IUPAC: [(2-chlorophenyl)methyl]({[(1r,4r)-4-({[(2-chlorophenyl)methyl]amino}methyl)cyclohexyl]methyl})amine dihydrochloride
SMILES: Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1 |wU:12.10,wD:15.14,(8.37,,;-.77,-11.55,;-2.26,3.85,;-2.26,5.39,;-3.59,6.16,;-3.59,7.7,;-2.26,8.47,;-.92,7.7,;-.92,6.16,;.41,5.39,;.41,3.85,;-.92,3.08,;-.92,1.54,;.41,.77,;.41,-.77,;-.92,-1.54,;-.92,-3.08,;.41,-3.85,;.41,-5.39,;1.74,-6.16,;1.74,-7.7,;3.08,-8.47,;4.41,-7.7,;4.41,-6.16,;3.08,-5.39,;3.08,-3.85,;-2.26,-.77,;-2.26,.77,)|
SMILES: Cl.Cl.Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1 |wU:12.10,wD:15.14,(8.37,,;-.77,-11.55,;-2.26,3.85,;-2.26,5.39,;-3.59,6.16,;-3.59,7.7,;-2.26,8.47,;-.92,7.7,;-.92,6.16,;.41,5.39,;.41,3.85,;-.92,3.08,;-.92,1.54,;.41,.77,;.41,-.77,;-.92,-1.54,;-.92,-3.08,;.41,-3.85,;.41,-5.39,;1.74,-6.16,;1.74,-7.7,;3.08,-8.47,;4.41,-7.7,;4.41,-6.16,;3.08,-5.39,;3.08,-3.85,;-2.26,-.77,;-2.26,.77,)|
InChI key: NRVIEWRSGDDWHP-PMXFUEHMSA-N
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