COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780006
Chemical Name: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(methylamino)naphthalene-1,4-dione
Smiles: CNC1=C(c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C(=O)c2c(C1=O)cccc2

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Molecular Weight: 391.51
Empirical Formula: C25H29NO3

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 6.134
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 66
Number of rings: 3

     

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