Name: Tanzisertib
Rating: 5 (10 reviews)

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HIT ID:HIT212661342
Cas No:899805-25-5
常用名:Tanzisertib
别名:CC-930
IUPAC:(1r,4r)-4-({9-[(3S)-oxolan-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexan-1-ol
IUPAC:(1r,4r)-4-({9-[(3S)-oxolan-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexan-1-ol
InChI key:IBGLGMOPHJQDJB-IHRRRGAJSA-N

分子式:C21H23F3N6O2
分子量:448.45
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:2.9447558
SMILES:O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |wU:1.0,wD:4.7,25.26,(7.59,10.54,;7.59,9,;8.92,8.23,;8.92,6.69,;7.59,5.92,;6.26,6.69,;6.26,8.23,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;-.32,2.84,;-1.09,1.51,;-2.63,1.51,;-3.4,2.84,;-3.4,.18,;-2.63,-1.16,;-3.4,-2.49,;-1.09,-1.16,;-.32,.18,;1.22,.18,;2.13,4.09,;1.65,5.55,;2.55,6.8,;1.65,8.05,;.19,7.57,;.19,6.03,;3.59,3.61,;4.92,4.38,)|
SMILES:O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |wU:1.0,wD:4.7,25.26,(7.59,10.54,;7.59,9,;8.92,8.23,;8.92,6.69,;7.59,5.92,;6.26,6.69,;6.26,8.23,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;-.32,2.84,;-1.09,1.51,;-2.63,1.51,;-3.4,2.84,;-3.4,.18,;-2.63,-1.16,;-3.4,-2.49,;-1.09,-1.16,;-.32,.18,;1.22,.18,;2.13,4.09,;1.65,5.55,;2.55,6.8,;1.65,8.05,;.19,7.57,;.19,6.03,;3.59,3.61,;4.92,4.38,)|

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