COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL308066
Chemical Name: 1-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1ccc(cc1)Cl

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Molecular Weight: 399.94
Empirical Formula: C21H22ClN3OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.272
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 73
Number of rings: 3

     

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