COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK971163
Chemical Name: 2-(dimethylamino)ethyl4-[(5E)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate
Smiles: CN(CCOC(=O)CCCN1C(=S)S/C(=C/c2ccc(cc2)Cl)/C1=O)C

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Saltdata: HCl
Molecular Weight: 412.96
Empirical Formula: C18H21ClN2O3S2

Available Amount: 0 mg

Lipinsky:
logP: 3.033
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 2

     

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