COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL359358
Chemical Name: (4Z)-5-methyl-4-{[(2-nitrophenyl)amino]methylidene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cc(Cl)c(c(c1)Cl)N1N=C(/C(=C/Nc2ccccc2[N+](=O)[O-])/C1=O)C

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Molecular Weight: 425.66
Empirical Formula: C17H11Cl3N4O3

Physical State: Dry powder
Available Amount: 585 mg

Lipinsky:
logP: 4.287
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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