COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL000753
Chemical Name: di-tert-butyl4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Smiles: [O-][N+](=O)c1ccc(cc1)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(C)C)(C)O

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Molecular Weight: 449.5
Empirical Formula: C23H31NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.037
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 135
Number of rings: 2

     

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