CX546   

GtoPdb Ligand ID: 4166

Synonyms: CX 546 | CX-546
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 38.77
Molecular weight 247.12
XLogP 1.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1ccc2c(c1)OCCO2)N1CCCCC1
Isomeric SMILES O=C(c1ccc2c(c1)OCCO2)N1CCCCC1
InChI InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
InChI Key LJUNPHMOGNFFOS-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]piperidine
Synonyms
CX 546 | CX-546
Database Links
CAS Registry No. 215923-54-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1255648
GtoPdb PubChem SID 178100986
PubChem CID 2890
Search Google for chemical match using the InChIKey LJUNPHMOGNFFOS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LJUNPHMOGNFFOS
Search UniChem for chemical match using the InChIKey LJUNPHMOGNFFOS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LJUNPHMOGNFFOS
Wikipedia CX-546

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Tocris
CX 546
Cat. No. 2980