COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056421
Chemical Name: 1-(3,4-dihydroxyphenyl)-2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1cccc(c1)C

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Molecular Weight: 381.46
Empirical Formula: C20H19N3O3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.249
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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