COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054720
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 473.6
Empirical Formula: C27H27N3O3S

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 8.299
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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