COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003901
Chemical Name: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Smiles: C=CCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)Cc2ccccc2)C)/C1=O

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Molecular Weight: 505.66
Empirical Formula: C26H27N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.969
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 4

     

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