COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173010
Chemical Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCOc1ccccc1C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1F)Br)C#N

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Molecular Weight: 482.35
Empirical Formula: C24H21BrFN3O2

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 3.782
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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