COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005231
Chemical Name: bis(2-methylpropyl)4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Smiles: CC(COC(=O)C1C(=O)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC(C)C)(C)O)C

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Molecular Weight: 449.5
Empirical Formula: C23H31NO8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.401
Rotatable bonds: 10
H-donors: 1
H-acceptors: 8
PSA: 135
Number of rings: 2

     

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