COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295266
Chemical Name: (4E)-2-(4-chlorophenyl)-4-{[(2-hydroxy-3,5-dinitrophenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)N1N=C(/C(=C\Nc2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-])/C1=O)C

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Molecular Weight: 417.77
Empirical Formula: C17H12ClN5O6

Physical State: Dry powder
Available Amount: 238 mg

Lipinsky:
logP: 4.013
Rotatable bonds: 1
H-donors: 2
H-acceptors: 6
PSA: 156
Number of rings: 3

     

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