COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673303
Chemical Name: 2-(4-nitrophenyl)-4-[(E)-(octylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCCCCCCC/N=C/c1c([nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 412.41
Empirical Formula: C19H23F3N4O3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 7.24
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 2

     

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