COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810448
Chemical Name: (2E)-3-(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(2-ethylhexyl)prop-2-enamide
Smiles: CCCCC(CNC(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1)/C#N)CC

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Molecular Weight: 567.13
Empirical Formula: C34H35ClN4O2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 8.758
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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