COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK289081
Chemical Name: 2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Smiles: COc1cc(ccc1OC)C(=O)CSc1nnc(n1CC)Cc1ccccc1

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Molecular Weight: 397.5
Empirical Formula: C21H23N3O3S

Physical State: Dry powder
Available Amount: 211 mg

Lipinsky:
logP: 4.618
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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