COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031986
Chemical Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-methylfuran-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: Cc1ccc(o1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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Molecular Weight: 372.46
Empirical Formula: C22H28O5

Physical State: Dry powder
Available Amount: 936 mg

Lipinsky:
logP: 3.804
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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