COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK104632
Chemical Name: 2-(3-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2sc(c(c2C#N)C)C)C)/C1=O

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Molecular Weight: 424.55
Empirical Formula: C21H20N4O2S2

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 3.987
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 138
Number of rings: 3

     

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