COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702944
Chemical Name: 2-[(1-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c(n1C(=O)CCN1C(=S)S/C(=C\c3ccc(cc3)Cl)/C1=O)cccc2

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Saltdata: 1/3 DMFA
Molecular Weight: 661.15
Empirical Formula: C29H20ClF3N4O3S3

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 6.951
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 166
Number of rings: 5

     

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