COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL237535
Chemical Name: di-tert-butyl4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate
Smiles: O=C(C1C(=O)CC(C(C1c1cccnc1)C(=O)OC(C)(C)C)(C)O)OC(C)(C)C

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Molecular Weight: 405.49
Empirical Formula: C22H31NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.815
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 2

     

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