COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323600
Chemical Name: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-{[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CSc1nnc(n1c1ccccc1)Nc1ccccc1

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Molecular Weight: 514.69
Empirical Formula: C30H34N4O2S

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 9.052
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 105
Number of rings: 4

     

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