COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174866
Chemical Name: 2-amino-1-(4-ethoxy-2-nitrophenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCOc1ccc(c(c1)[N+](=O)[O-])N1C(=C(C#N)C(C2=C1CC(CC2=O)c1ccccc1)c1ccc(cc1)SC)N

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Molecular Weight: 552.65
Empirical Formula: C31H28N4O4S

Physical State: Dry powder
Available Amount: 19 mg

Lipinsky:
logP: 5.318
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 150
Number of rings: 5

     

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