COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK861520
Chemical Name: 3-[(5Z)-5-{4-[1-(acetylamino)-2,2,2-trichloroethoxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2ccc(cc2)OC(C(Cl)(Cl)Cl)NC(=O)C)/C1=O

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Molecular Weight: 497.81
Empirical Formula: C17H15Cl3N2O5S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 2.577
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 153
Number of rings: 2

     

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