COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK822031
Chemical Name: 3-methyl-N-(2,2,2-trichloro-1-{4-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}ethyl)butanamide
Smiles: CCN1C(=S)S/C(=C\c2ccc(cc2)OC(C(Cl)(Cl)Cl)NC(=O)CC(C)C)/C1=O

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Molecular Weight: 495.88
Empirical Formula: C19H21Cl3N2O3S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.712
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 2

     

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