COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583221
Chemical Name: 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 489.84
Empirical Formula: C23H15ClF3N3O4

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 6.348
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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