COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053249
Chemical Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(pyridin-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1cccnc1

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Molecular Weight: 369.46
Empirical Formula: C22H27NO4

Physical State: Dry powder
Available Amount: 329 mg

Lipinsky:
logP: 2.691
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 84
Number of rings: 3

     

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