COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052395
Chemical Name: 5-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: COCCCN1C(=S)S/C(=C\c2c(N3CCN(CC3)C)n(C)c(=O)c(c2C)C#N)/C1=O

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Molecular Weight: 461.61
Empirical Formula: C21H27N5O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.209
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 137
Number of rings: 3

     

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