COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK363708
Chemical Name: 4-(3-cyano-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinolin-4-yl)-2-ethoxyphenylacetate
Smiles: CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C#N

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Molecular Weight: 442.51
Empirical Formula: C27H26N2O4

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 3.147
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 4

     

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