Nag 26   Click here for help

GtoPdb Ligand ID: 9305

Synonyms: compound 26 [PMID: 26267383] | Nag26
Compound class: Synthetic organic
Comment: Compound 26 is a non-peptide, selective OX2 receptor agonist [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 125.22
Molecular weight 586.22
XLogP 5.42
No. Lipinski's rules broken 2
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Canonical SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C
Isomeric SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C
InChI InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 26 [PMID: 26267383] | Nag26
Database Links Click here for help
GtoPdb PubChem SID 318164824
PubChem CID 91810287
Search Google for chemical match using the InChIKey RHLMXWCISNJNDH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RHLMXWCISNJNDH
UniChem Compound Search for chemical match using the InChIKey RHLMXWCISNJNDH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RHLMXWCISNJNDH-UHFFFAOYSA-N