COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029941
Chemical Name: 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 320.43
Empirical Formula: C21H24N2O

Physical State: Dry powder
Available Amount: 815 mg

Lipinsky:
logP: 3.813
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 52
Number of rings: 3

     

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