COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL308056
Chemical Name: 1-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)C(C)(C)C

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Molecular Weight: 415.94
Empirical Formula: C21H22ClN3O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.81
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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