COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994739
Chemical Name: butyl4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=O)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

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Molecular Weight: 517.07
Empirical Formula: C25H25ClN2O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.939
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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