COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810515
Chemical Name: (2E)-3-(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
Smiles: C=CCNC(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCc1ccccc1Cl)c1ccccc1)/C#N

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Molecular Weight: 494.98
Empirical Formula: C29H23ClN4O2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.119
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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