COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681600
Chemical Name: 2,6-di-tert-butyl-4-{[7-(3,5-di-tert-butyl-4-hydroxybenzyl)-2,3-dihydro-1,4-benzodioxin-6-yl]imino}cyclohexa-2,5-dien-1-one
Smiles: O=C1C(=C/C(=N/c2cc3OCCOc3cc2Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)/C=C1C(C)(C)C)C(C)(C)C

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Molecular Weight: 571.8
Empirical Formula: C37H49NO4

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 10.145
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 68
Number of rings: 4

     

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