COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567670
Chemical Name: 1-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one
Smiles: CCn1c(COc2ccc(cc2)Cl)nnc1SCC(=O)C(C)(C)C

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Molecular Weight: 367.9
Empirical Formula: C17H22ClN3O2S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 4.504
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 2

     

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