COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150197
Chemical Name: 1-[(4-methylphenyl)sulfonyl]-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazine
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 634.64
Empirical Formula: C28H29F3N6O6S

Physical State: Dry powder
Available Amount: 153 mg

Lipinsky:
logP: 8.332
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 147
Number of rings: 5

     

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