COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK704512
Chemical Name: (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: Fc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/c2=O

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Molecular Weight: 451.56
Empirical Formula: C25H26FN3O2S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 8.133
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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