COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK018761
Chemical Name: 2-{[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1cccc(c1)OCc1ccccc1

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Molecular Weight: 474.6
Empirical Formula: C30H34O5

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.754
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 4

     

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