JNJ-5207852   Click here for help

GtoPdb Ligand ID: 1256

Synonyms: JNJ 5207852
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 0
Rotatable bonds 7
Topological polar surface area 15.71
Molecular weight 316.25
XLogP 3.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CCN(CC1)CCCOc1ccc(cc1)CN1CCCCC1
Isomeric SMILES C1CCN(CC1)CCCOc1ccc(cc1)CN1CCCCC1
InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
InChI Key PTKHFRNHJULJKT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
Synonyms Click here for help
JNJ 5207852
Database Links Click here for help
BindingDB Ligand 50159110
CAS Registry No. 398473-34-2 (source: Scifinder)
ChEMBL Ligand CHEMBL129542
GtoPdb PubChem SID 135649651
PubChem CID 2766326
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Wikipedia JNJ-5207852