COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173018
Chemical Name: 2-amino-1-(4-fluoro-3-nitrophenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2ccc(c(c2)[N+](=O)[O-])F)C2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2

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Molecular Weight: 472.4
Empirical Formula: C23H16F4N4O3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.565
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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