YNT-185   Click here for help

GtoPdb Ligand ID: 10277

Synonyms: compound 30 [PMID: 26267383] | Nag 30
Compound class: Synthetic organic
Comment: Non-peptide Orexin receptor 2 agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 128.46
Molecular weight 615.25
XLogP 5.19
No. Lipinski's rules broken 2
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Canonical SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1ccccc1N(C)C)c1cccc(c1)C(=O)N(C)C
Isomeric SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1ccccc1N(C)C)c1cccc(c1)C(=O)N(C)C
InChI InChI=1S/C33H37N5O5S/c1-37(2)29-15-7-6-14-28(29)32(39)35-19-18-34-26-12-9-13-27(22-26)36-44(41,42)31-21-24(16-17-30(31)43-5)23-10-8-11-25(20-23)33(40)38(3)4/h6-17,20-22,34,36H,18-19H2,1-5H3,(H,35,39)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 30 [PMID: 26267383] | Nag 30
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Specialist databases
GPCRdb Ligand YNT-185
Other databases
GtoPdb PubChem SID 381744958
PubChem CID 122192250
Search Google for chemical match using the InChIKey BXJSAMKIFDDLGI-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey BXJSAMKIFDDLGI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BXJSAMKIFDDLGI-UHFFFAOYSA-N