COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118608
Chemical Name: 2-(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)-4,5-dimethylthiophene-3-carbonitrile
Smiles: C=CCN1C(=S)S/C(=C\c2cc(n(c2C)c2sc(c(c2C#N)C)C)C)/C1=O

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Molecular Weight: 413.59
Empirical Formula: C20H19N3OS3

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.351
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 134
Number of rings: 3

     

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