COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK705346
Chemical Name: (2E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/c1nc2ccccc2c(=O)[nH]1

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Molecular Weight: 401.51
Empirical Formula: C25H27N3O2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 5.937
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 85
Number of rings: 3

     

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