NPS2390   Click here for help

GtoPdb Ligand ID: 1384

Synonyms: NPS 2390 | NPS-239
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 54.88
Molecular weight 307.17
XLogP 3.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1cnc2c(n1)cccc2)NC12CC3CC(C2)CC(C1)C3
Isomeric SMILES O=C(c1cnc2c(n1)cccc2)NC12CC3CC(C2)CC(C1)C3
InChI InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
InChI Key ZKFVOZCCAXQXBU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(1-adamantyl)quinoxaline-2-carboxamide
Synonyms Click here for help
NPS 2390 | NPS-239
Database Links Click here for help
Specialist databases
GPCRdb Ligand NPS2390
Other databases
BindingDB Ligand 50231744
ChEMBL Ligand CHEMBL399160
GtoPdb PubChem SID 135650740
PubChem CID 7067728
Search Google for chemical match using the InChIKey ZKFVOZCCAXQXBU-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZKFVOZCCAXQXBU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZKFVOZCCAXQXBU-UHFFFAOYSA-N

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Tocris
NPS 2390 (links to external site)
Cat. No. 4134