[4-({2-[(Trans-4-Aminocyclohexyl)Amino]-9-(3-Fluorophenyl)-9H-Purin-6-Yl}Amino)Phenyl](1-Piperidinyl)Methanone

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Formula C29H35FN8O
IUPAC Name [4-[[2-[(4-aminocyclohexyl)amino]-9-(3-fluorophenyl)purin-6-yl]amino]phenyl]-piperidin-1-ylmethanone
Molecular Mass 530.640 g·mol−1
Heat of Formation 11.4 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 635.06 Å 3
Surface Area 503.38 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey KRCOMOOXOZSNAJ-AFARHQOCSA-N
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