COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800829
Chemical Name: (2Z)-2-cyano-N-(3,4-dimethylphenyl)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Smiles: C=CCOc1ccc(cc1C)c1nn(cc1/C=C(\C(=O)Nc1ccc(c(c1)C)C)/C#N)c1ccccc1

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Molecular Weight: 488.59
Empirical Formula: C31H28N4O2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.441
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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