COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472814
Chemical Name: (2E)-3-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccccc1)Cc1ccc(cc1)Cl)/C(=O)NC(CC(C)(C)C)(C)C

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Molecular Weight: 475.03
Empirical Formula: C28H31ClN4O

Physical State: Dry powder
Available Amount: 229 mg

Lipinsky:
logP: 6.154
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 70
Number of rings: 3

     

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