COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904912
Chemical Name: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)/C(=O)N1CCOCC1

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Molecular Weight: 545.66
Empirical Formula: C29H31N5O4S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 3.6
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 5

     

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