COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043643
Chemical Name: (7E)-7-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminio]-4-nitrocyclohepta-1,3,5-trien-1-olate
Smiles: [O-][N+](=O)c1ccc(/c(=[NH+]/c2c(C)n(n(c2=O)c2ccccc2)C)/cc1)[O-]

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Molecular Weight: 352.35
Empirical Formula: C18H16N4O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 0.048
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 3

     

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