COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192988
Chemical Name: ethyl4-{3-[(Z)-2-(4-bromophenyl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C(/c1ccc(cc1)Br)\C#N

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Molecular Weight: 449.35
Empirical Formula: C24H21BrN2O2

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 7.666
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 55
Number of rings: 3

     

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