COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182539
Chemical Name: 2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-hydroxy-2,4-dimethoxyphenyl)ethanone
Smiles: COc1ccc(cc1OC)c1nnc(n1C)SCC(=O)c1ccc(c(c1OC)O)OC

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Molecular Weight: 445.5
Empirical Formula: C21H23N3O6S

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 4.055
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 130
Number of rings: 3

     

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