COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK830027
Chemical Name: diethyl2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: CCOC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)OCC)O)C(=O)OCC)(C)O

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Molecular Weight: 408.45
Empirical Formula: C21H28O8

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 2.413
Rotatable bonds: 11
H-donors: 2
H-acceptors: 8
PSA: 119
Number of rings: 2

     

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