COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK533954
Chemical Name: 2-(dimethylamino)ethyl4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Smiles: CN(CCOC(=O)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O)C

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Saltdata: HCl
Molecular Weight: 412.96
Empirical Formula: C18H21ClN2O3S2

Physical State: Dry powder
Available Amount: 348 mg

Lipinsky:
logP: 2.886
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 2

     

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