COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183127
Chemical Name: ethyl4-(3-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C(/C(=O)Nc1ccc(c(c1)Cl)C)\C#N

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Molecular Weight: 461.95
Empirical Formula: C26H24ClN3O3

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 7.045
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 84
Number of rings: 3

     

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