COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL359579
Chemical Name: (4E)-5-methyl-2-(4-methylphenyl)-4-{[(3-nitrophenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)N1N=C(/C(=C\Nc2cccc(c2)[N+](=O)[O-])/C1=O)C

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Molecular Weight: 336.35
Empirical Formula: C18H16N4O3

Physical State: Dry powder
Available Amount: 219 mg

Lipinsky:
logP: 3.06
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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