COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047768
Chemical Name: dimethyl4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Smiles: COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OC)(C)O

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Molecular Weight: 365.34
Empirical Formula: C17H19NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.581
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 135
Number of rings: 2

     

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