COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323315
Chemical Name: 2-{4-[3-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1,3-benzodithiol-1-ium
Smiles: [O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)c1sc2c([s+]1)cccc2

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Saltdata: ClO4-
Molecular Weight: 494.62
Empirical Formula: C28H20N3O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 89
Number of rings: 6

     

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