COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682316
Chemical Name: 2-[1-(benzylamino)-2-(3,4-diethoxyphenyl)ethylidene]-5,5-dimethylcyclohexane-1,3-dione
Smiles: CCOc1cc(ccc1OCC)CC(=C1C(=O)CC(CC1=O)(C)C)NCc1ccccc1

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Molecular Weight: 435.56
Empirical Formula: C27H33NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.387
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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