COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK956603
Chemical Name: butyl4-({[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]methyl}amino)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

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Molecular Weight: 461.01
Empirical Formula: C22H21ClN2O3S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.6
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 3

     

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