COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675017
Chemical Name: 2-(3,3-diethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-5,5-dimethylcyclohexane-1,3-dione
Smiles: CCC1(CC)Cc2ccccc2C(=C2C(=O)CC(CC2=O)(C)C)N1

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Molecular Weight: 325.45
Empirical Formula: C21H27NO2

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 3.592
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 46
Number of rings: 3

     

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