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
BindingDB Ligand 50231744
ChEMBL Ligand CHEMBL399160
GtoPdb PubChem SID 135650740
PubChem CID 7067728
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Tocris
NPS 2390
Cat. No. 4134