COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075346
Chemical Name: N~2~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N~1~-(5-nitroquinolin-8-yl)propane-1,2-diamine
Smiles: CC(Nc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CNc1ccc(c2c1nccc2)[N+](=O)[O-]

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Molecular Weight: 480.36
Empirical Formula: C19H15F3N6O6

Physical State: Dry powder
Available Amount: 491 mg

Lipinsky:
logP: 6.938
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 174
Number of rings: 3

     

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