CP94253   Click here for help

GtoPdb Ligand ID: 3221

Synonyms: CP-94,253 | CP-94253
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 49.94
Molecular weight 257.15
XLogP 2.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCOc1ccc2c(n1)c(c[nH]2)C1=CCNCC1
Isomeric SMILES CCCOc1ccc2c(n1)c(c[nH]2)C1=CCNCC1
InChI InChI=1S/C15H19N3O/c1-2-9-19-14-4-3-13-15(18-14)12(10-17-13)11-5-7-16-8-6-11/h3-5,10,16-17H,2,6-9H2,1H3
InChI Key KWQWBZIGHIOKIO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-{5-propoxypyrrolo[3,2-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine
Synonyms Click here for help
CP-94,253 | CP-94253
Database Links Click here for help
CAS Registry No. 131084-35-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1570196
GtoPdb PubChem SID 178100280
PubChem CID 4029677
Search Google for chemical match using the InChIKey KWQWBZIGHIOKIO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KWQWBZIGHIOKIO
Search UniChem for chemical match using the InChIKey KWQWBZIGHIOKIO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KWQWBZIGHIOKIO
Wikipedia CP-94,253