COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325088
Chemical Name: (2E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)/C(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/n1cncn1

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Molecular Weight: 472.41
Empirical Formula: C25H27Cl2N3O2

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 7.001
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 68
Number of rings: 3

     

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