COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK159739
Chemical Name: methyl4-(2,5-dimethyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)-3-methylbenzoate
Smiles: C=CCN1C(=S)S/C(=C\c2cc(n(c2C)c2ccc(cc2C)C(=O)OC)C)/C1=O

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Molecular Weight: 426.56
Empirical Formula: C22H22N2O3S2

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.954
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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