COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444536
Chemical Name: diethyl4-hydroxy-4-methyl-6-oxo-2-(phenylethynyl)cyclohexane-1,3-dicarboxylate
Smiles: CCOC(=O)C1C(=O)CC(C(C1C#Cc1ccccc1)C(=O)OCC)(C)O

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Molecular Weight: 372.42
Empirical Formula: C21H24O6

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 4.566
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 2

     

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