CX516   Click here for help

GtoPdb Ligand ID: 4165

Synonyms: BDP-12 | CX 516 | CX-516
PDB Ligand
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 46.09
Molecular weight 241.12
XLogP 1.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(c1ccc2c(c1)nccn2)N1CCCCC1
Isomeric SMILES O=C(c1ccc2c(c1)nccn2)N1CCCCC1
InChI InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
InChI Key ANDGGVOPIJEHOF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[(piperidin-1-yl)carbonyl]quinoxaline
Synonyms Click here for help
BDP-12 | CX 516 | CX-516
Database Links Click here for help
CAS Registry No. 154235-83-3 (source: Scifinder)
ChEMBL Ligand CHEMBL136800
GtoPdb PubChem SID 178100985
PubChem CID 148184
RCSB PDB Ligand CX5
Search Google for chemical match using the InChIKey ANDGGVOPIJEHOF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ANDGGVOPIJEHOF
UniChem Compound Search for chemical match using the InChIKey ANDGGVOPIJEHOF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ANDGGVOPIJEHOF-UHFFFAOYSA-N
Wikipedia CX-516