COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295651
Chemical Name: (4E)-2-(4-methoxyphenyl)-5-methyl-4-{[(2-nitrophenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)N1N=C(/C(=C\Nc2ccccc2[N+](=O)[O-])/C1=O)C

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Molecular Weight: 352.35
Empirical Formula: C18H16N4O4

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.38
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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