COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051400
Chemical Name: 1-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: CCn1c(nnc1SCC(=O)C(C)(C)C)COc1ccccc1

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Molecular Weight: 333.45
Empirical Formula: C17H23N3O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.818
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 2

     

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