COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406276
Chemical Name: (4E)-2-(2,4-dimethylphenyl)-4-{[(3,5-dinitrophenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(c(c1)C)N1N=C(/C(=C\Nc2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/C1=O)C

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Molecular Weight: 395.37
Empirical Formula: C19H17N5O5

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.845
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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