COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL236415
Chemical Name: 1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
Smiles: C=CCN1C(=S)S/C(=C\c2c(N3CCCC3)n(C)c(=O)c(c2C)C#N)/C1=O

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Molecular Weight: 400.53
Empirical Formula: C19H20N4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.64
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 125
Number of rings: 3

     

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