COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048755
Chemical Name: 1-(3,4-dihydroxyphenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1cccc(c1)C

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Molecular Weight: 461.54
Empirical Formula: C25H23N3O4S

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 7.058
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 122
Number of rings: 4

     

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