COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755917
Chemical Name: (4Z)-4-{[(3-chloro-2-methylphenyl)amino]methylidene}-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C/Nc1cccc(c1C)Cl)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 424.77
Empirical Formula: C18H12ClF3N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.926
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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