Structure details of probe GSK046


GSK046
2D structure
IUPAC name 1-(6-fluoro-4-((4-hydroxy-cyclohexylamino)-formyl)-2-(1-phenyl-ethoxy)-phenylamino)-ethanone
Molecular weight 414.2 g/mol
SMILES CC(Nc1c(cc(cc1F)C(N[C@H]1CC[C@@H](CC1)O)=O)O[C@@H](C)c1ccccc1)=O
InChi InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1
InChi key FRBRZGLUFOZRGD-JVPBZIDWSA-N
Molecular formular C23H27FN2O4
Number of chiral centres 1
Number of rotational bonds 8
Number of hydrogen bond acceptors 3
Number of hydrogen bond donors 6