COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183251
Chemical Name: ethyl4-{3-[(1E)-2-cyano-3-ethoxy-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)OCC)\C#N

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Molecular Weight: 366.42
Empirical Formula: C21H22N2O4

Physical State: Dry powder
Available Amount: 26 mg

Lipinsky:
logP: 4.65
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 81
Number of rings: 2

     

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