COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537091
Chemical Name: bis(2-methylpropyl)4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: CC(COC(=O)C1C(=O)CC(C(C1c1cccc(c1)O)C(=O)OCC(C)C)(C)O)C

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Molecular Weight: 420.5
Empirical Formula: C23H32O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.935
Rotatable bonds: 11
H-donors: 2
H-acceptors: 7
PSA: 110
Number of rings: 2

     

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