Name: SNX2112
Rating: 5 (10 reviews)

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HIT ID:HIT212654872
Cas No:908112-43-6
常用名:SNX2112
别名:SNX-2112, SNX 2112, PF 04928473
IUPAC:4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[(1r,4r)-4-hydroxycyclohexyl]amino}benzamide
IUPAC:4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[(1r,4r)-4-hydroxycyclohexyl]amino}benzamide
InChI key:ZFVRYNYOPQZKDG-MQMHXKEQSA-N

分子式:C23H27F3N4O3
分子量:464.489
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:3.058
SMILES:CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |wU:18.18,wD:21.22,(5.38,2.34,;3.86,2.07,;4.39,.63,;2.53,1.3,;1.2,2.07,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-1.14,-5.41,;-3.68,-4.58,;-.19,-2.48,;.84,-3.62,;2.35,-3.3,;2.82,-1.84,;4.33,-1.52,;5.36,-2.66,;6.87,-2.34,;4.88,-4.13,;3.38,-4.45,;.29,-1.01,;-.74,5.55,;-1.22,7.02,;-2.21,5.08,;.72,6.03,;2.53,4.38,;2.53,5.92,;3.86,3.61,)|
SMILES:CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |wU:18.18,wD:21.22,(5.38,2.34,;3.86,2.07,;4.39,.63,;2.53,1.3,;1.2,2.07,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;-.74,.13,;-2.25,-.19,;-2.73,-1.65,;-1.7,-2.8,;-2.17,-4.26,;-1.14,-5.41,;-3.68,-4.58,;-.19,-2.48,;.84,-3.62,;2.35,-3.3,;2.82,-1.84,;4.33,-1.52,;5.36,-2.66,;6.87,-2.34,;4.88,-4.13,;3.38,-4.45,;.29,-1.01,;-.74,5.55,;-1.22,7.02,;-2.21,5.08,;.72,6.03,;2.53,4.38,;2.53,5.92,;3.86,3.61,)|

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