COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051942
Chemical Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
Smiles: [O-][N+](=O)c1cc(cc(c1NCCCNc1ccc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 480.36
Empirical Formula: C19H15F3N6O6

Physical State: Dry powder
Available Amount: 595 mg

Lipinsky:
logP: 6.994
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 174
Number of rings: 3

     

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