COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839800
Chemical Name: di-tert-butyl2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: COc1cc(ccc1OC)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(C)C)(C)O

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Molecular Weight: 464.56
Empirical Formula: C25H36O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.044
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 108
Number of rings: 2

     

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