COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231031
Chemical Name: 2-{[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Smiles: COc1cc(ccc1OC)C(=O)CSc1nnc(n1CC)c1ccc2c(c1)OCO2

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Molecular Weight: 427.48
Empirical Formula: C21H21N3O5S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 4.443
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 110
Number of rings: 4

     

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