COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011624
Chemical Name: 2-[(2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)amino]ethanol
Smiles: OCCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 455.39
Empirical Formula: C19H20F3N5O5

Physical State: Dry powder
Available Amount: 413 mg

Lipinsky:
logP: 6.138
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 130
Number of rings: 3

     

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