COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010098
Chemical Name: 5-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
Smiles: CCOCCCN1C(=S)S/C(=C\c2c(N3CCCC3)n(C)c(=O)c(c2C)C#N)/C1=O

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Molecular Weight: 446.59
Empirical Formula: C21H26N4O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.532
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 134
Number of rings: 3

     

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