COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL333646
Chemical Name: dimethyl2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: CCOc1cc(ccc1O)C1C(C(=O)OC)C(=O)CC(C1C(=O)OC)(C)O

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Molecular Weight: 380.39
Empirical Formula: C19H24O8

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 1.35
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 119
Number of rings: 2

     

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