GI‐530159   Click here for help

GtoPdb Ligand ID: 10337

Compound class: Synthetic organic
Comment: GI‐530159 is a K2P channel activator [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 70.5
Molecular weight 518.14
XLogP 8.03
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES FC(C(C(F)(F)F)(c1ccc(cc1)Oc1ccc(cc1)N)c1ccc(cc1)Oc1ccc(cc1)N)(F)F
Isomeric SMILES FC(C(C(F)(F)F)(c1ccc(cc1)Oc1ccc(cc1)N)c1ccc(cc1)Oc1ccc(cc1)N)(F)F
InChI InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2
InChI Key HHLMWQDRYZAENA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
Database Links Click here for help
CAS Registry No. 69563-88-8 (source: PubChem)
GtoPdb PubChem SID 381745018
PubChem CID 94652
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Tocris
GI 530159
Cat. No. 6689