compound 7e [PMID: 21571530]   Click here for help

GtoPdb Ligand ID: 5515

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 103.03
Molecular weight 533.14
XLogP 6.17
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES O=C(NCCCCc1nnc(o1)c1ccc(c(c1)Cl)OC(F)(F)F)CCCc1ccc2c(n1)nccc2
Isomeric SMILES O=C(NCCCCc1nnc(o1)c1ccc(c(c1)Cl)OC(F)(F)F)CCCc1ccc2c(n1)nccc2
InChI InChI=1S/C25H23ClF3N5O3/c26-19-15-17(10-12-20(19)37-25(27,28)29)24-34-33-22(36-24)8-1-2-13-30-21(35)7-3-6-18-11-9-16-5-4-14-31-23(16)32-18/h4-5,9-12,14-15H,1-3,6-8,13H2,(H,30,35)
InChI Key RCSBCWXPGSPJNF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(4-{5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}butyl)-4-(1,8-naphthyridin-2-yl)butanamide
Database Links Click here for help
Specialist databases
GPCRdb Ligand compound 7e [PMID: 21571530]
Other databases
GtoPdb PubChem SID 178102159
PubChem CID 73755126
Search Google for chemical match using the InChIKey RCSBCWXPGSPJNF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RCSBCWXPGSPJNF
UniChem Compound Search for chemical match using the InChIKey RCSBCWXPGSPJNF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RCSBCWXPGSPJNF-UHFFFAOYSA-N