COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182746
Chemical Name: (2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[3,4-dimethoxy-5-(prop-2-en-1-yl)phenyl]prop-2-enamide
Smiles: C=CCc1cc(/C=C(/C(=O)Nc2cc(Cl)ccc2C)\C#N)cc(c1OC)OC

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Molecular Weight: 396.87
Empirical Formula: C22H21ClN2O3

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 5.599
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 2

     

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