Taladegib

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Formula C26H24F4N6O
IUPAC Name 4-fluoro-n-methyl-n-[1-[4-(2-methylpyrazol-2-ium-3-ylium-3-yl)phthalazin-1-yl]-4-piperidyl]-2-(trifluoromethyl)benzamide
Molecular Mass 512.502 g·mol−1
Heat of Formation -425.4 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 562.61 Å 3
Surface Area 462.12 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
InChIKey SZBGQDXLNMELTB-UHFFFAOYSA-N
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