COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148976
Chemical Name: 1-(methylsulfonyl)-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazine
Smiles: [O-][N+](=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 558.54
Empirical Formula: C22H25F3N6O6S

Physical State: Dry powder
Available Amount: 186 mg

Lipinsky:
logP: 6.185
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 147
Number of rings: 4

     

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