Name: GSK3186899
Rating: 5 (10 reviews)

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HIT ID:HIT212671855
Cas No:1972617-87-0
常用名:GSK3186899
别名:DDD-853651, 3,3,3-trifluoro-N-[4-[[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclohexyl]propane-1-sulfonamide
别名:DDD-853651, 3,3,3-trifluoro-N-[4-[[3-[(2R)-2-methylmorpholin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclohexyl]propane-1-sulfonamide
IUPAC:3,3,3-trifluoro-N-[(1r,4r)-4-({3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)cyclohexyl]propane-1-sulfonamide
IUPAC:3,3,3-trifluoro-N-[(1r,4r)-4-({3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)cyclohexyl]propane-1-sulfonamide
InChI key:RQWCISVRFNZHMJ-IHRRRGAJSA-N

分子式:C19H28F3N7O3S
分子量:491.53
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:1.7599834
SMILES:C[C@H]1CN(CCO1)c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)ncc12 |wU:17.21,wD:14.14,1.0,(3.23,-3.62,;2.2,-2.48,;2.68,-1.01,;1.65,.13,;.14,-.19,;-.33,-1.65,;.7,-2.8,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;7.59,9,;6.26,8.23,;6.26,6.69,;7.59,10.54,;6.26,11.31,;7.03,12.65,;5.49,9.98,;4.92,12.08,;4.92,13.62,;3.59,14.39,;2.26,15.16,;2.82,13.06,;4.36,15.73,;6.26,2.07,;4.92,1.3,;3.59,2.07,)|
SMILES:C[C@H]1CN(CCO1)c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)ncc12 |wU:17.21,wD:14.14,1.0,(3.23,-3.62,;2.2,-2.48,;2.68,-1.01,;1.65,.13,;.14,-.19,;-.33,-1.65,;.7,-2.8,;2.13,1.6,;1.22,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;7.59,9,;6.26,8.23,;6.26,6.69,;7.59,10.54,;6.26,11.31,;7.03,12.65,;5.49,9.98,;4.92,12.08,;4.92,13.62,;3.59,14.39,;2.26,15.16,;2.82,13.06,;4.36,15.73,;6.26,2.07,;4.92,1.3,;3.59,2.07,)|

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