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- 3 of 4 defined stereocentres
6-(5-Cyano-6-imino-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[4-(methylcarbamoyl)cyclohexyl]nicotinamide
CNC(=O)C1CCC(CC1)NC(=O)C1=CN=C(C=C1N[C@H]1CCCC[C@@H]1F)N1N=CC2C=C(C#N)C(=N)NC1=2
InChI=1S/C27H32FN9O2/c1-31-26(38)15-6-8-18(9-7-15)34-27(39)19-14-32-23(11-22(19)35-21-5-3-2-4-20(21)28)37-25-17(13-33-37)10-16(12-29)24(30)36-25/h10-11,13-15,18,20-21H,2-9H2,1H3,(H2,30,36)(H,31,38)(H,32,35)(H,34,39)/t15?,18-,20-,21-/m0/s1
JIZIWLMQQHUKML-BHQVLEJJSA-N
CSID:98655459, http://www.chemspider.com/Chemical-Structure.98655459.html (accessed 21:40, Jun 15, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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