COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK860473
Chemical Name: 4-ethyl-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCC1C2=C(NC(=C1C#N)SC)CC(CC2=O)(C)C

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Molecular Weight: 276.4
Empirical Formula: C15H20N2OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.903
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 2

     

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