COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998148
Chemical Name: di-tert-butyl2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: Clc1ccc(cc1)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(C)C)(C)O

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Molecular Weight: 438.95
Empirical Formula: C23H31ClO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.902
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 2

     

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