COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325153
Chemical Name: 2,6-di-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylimino)cyclohexa-2,5-dien-1-one
Smiles: O=C1C(=C/C(=N/c2ccc3c(c2)OCCO3)/C=C1C(C)(C)C)C(C)(C)C

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Molecular Weight: 353.46
Empirical Formula: C22H27NO3

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 5.516
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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