COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019814
Chemical Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N'-(2-nitrophenyl)butane-1,4-diamine
Smiles: [O-][N+](=O)c1cc(cc(c1NCCCCNc1ccccc1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 443.34
Empirical Formula: C17H16F3N5O6

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 6.524
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 161
Number of rings: 2

     

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