COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182536
Chemical Name: 2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-hydroxy-2,4-dimethoxyphenyl)ethanone
Smiles: COc1c(ccc(c1O)OC)C(=O)CSc1nnc(n1C)c1ccc2c(c1)OCO2

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Molecular Weight: 429.45
Empirical Formula: C20H19N3O6S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 3.229
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 130
Number of rings: 4

     

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