PIK-75   Click here for help

GtoPdb Ligand ID: 8012

Synonyms: imidazopyridine derivative 8c [PMID 17601739] [1] | PIK 75 | PIK75
PDB Ligand
Compound class: Synthetic organic
Comment: The discovery of PIK-75 is described by Hayakawa et al. (2007) [1], where it is compound 8c.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 118.56
Molecular weight 450.99
XLogP 3.82
No. Lipinski's rules broken 0
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Canonical SMILES Brc1ccc2n(c1)c(C=NN(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2
Isomeric SMILES Brc1ccc2n(c1)c(/C=N/N(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2
InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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Molecular structure representations generated using Open Babel