COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK171979
Chemical Name: 1-[(3,4-dimethoxyphenyl)sulfonyl]-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine
Smiles: COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 520.44
Empirical Formula: C19H19F3N4O8S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 6.746
Rotatable bonds: 3
H-donors: 0
H-acceptors: 8
PSA: 159
Number of rings: 3

     

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