COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589178
Chemical Name: 1-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: Clc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1cccc(c1)C

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Molecular Weight: 399.94
Empirical Formula: C21H22ClN3OS

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 7.103
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 73
Number of rings: 3

     

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