Name: Cariprazine
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212033567
Cas No:839712-12-8
常用名:Cariprazine
别名:卡利拉嗪, RGH-188
IUPAC:3,3-dimethyl-1-[(1r,4r)-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl]urea
IUPAC:3,3-dimethyl-1-[(1r,4r)-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl]urea
InChI key:KPWSJANDNDDRMB-QAQDUYKDSA-N

分子式:C21H32Cl2N4O
分子量:427.41
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:4.98
SMILES:CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |wU:9.9,wD:6.5,(-2.91,10.2,;-1.57,9.43,;-.24,10.2,;-1.57,7.89,;-2.91,7.12,;-.24,7.12,;-.24,5.58,;-1.57,4.81,;-1.57,3.27,;-.24,2.5,;-.24,.96,;1.1,.19,;1.1,-1.35,;2.43,-2.12,;2.43,-3.66,;1.1,-4.43,;-.24,-3.66,;-.24,-2.12,;1.1,-5.97,;2.43,-6.74,;2.43,-8.28,;1.1,-9.05,;-.24,-8.28,;-1.57,-9.05,;-.24,-6.74,;-1.57,-5.97,;1.1,3.27,;1.1,4.81,)|
SMILES:CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |wU:9.9,wD:6.5,(-2.91,10.2,;-1.57,9.43,;-.24,10.2,;-1.57,7.89,;-2.91,7.12,;-.24,7.12,;-.24,5.58,;-1.57,4.81,;-1.57,3.27,;-.24,2.5,;-.24,.96,;1.1,.19,;1.1,-1.35,;2.43,-2.12,;2.43,-3.66,;1.1,-4.43,;-.24,-3.66,;-.24,-2.12,;1.1,-5.97,;2.43,-6.74,;2.43,-8.28,;1.1,-9.05,;-.24,-8.28,;-1.57,-9.05,;-.24,-6.74,;-1.57,-5.97,;1.1,3.27,;1.1,4.81,)|

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