COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080315
Chemical Name: N-benzyl-2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}aniline
Smiles: [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 501.47
Empirical Formula: C24H22F3N5O4

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 8.447
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 110
Number of rings: 4

     

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