COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK460492
Chemical Name: (2E)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-4-yl)prop-2-enamide
Smiles: COc1ccc(c(c1)NC(=O)/C(=C/c1c[nH]nc1c1ccccc1)/C#N)OC

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Molecular Weight: 374.4
Empirical Formula: C21H18N4O3

Physical State: Dry powder
Available Amount: 539 mg

Lipinsky:
logP: 3.598
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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