COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531333
Chemical Name: 2-[1-(benzylamino)butylidene]-5,5-dimethylcyclohexane-1,3-dione
Smiles: CCCC(=C1C(=O)CC(CC1=O)(C)C)NCc1ccccc1

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Molecular Weight: 299.41
Empirical Formula: C19H25NO2

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 3.765
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 46
Number of rings: 2

     

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