COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083206
Chemical Name: 7-(4-chlorophenyl)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C#N)C

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Molecular Weight: 418.92
Empirical Formula: C25H23ClN2O2

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 4.495
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 62
Number of rings: 4

     

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