COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815794
Chemical Name: (5E)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: CCCOc1ccc(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: 491.65
Empirical Formula: C28H33N3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 9.141
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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