PPTN   Click here for help

GtoPdb Ligand ID: 5802

Synonyms: 4-((piperindin-4-yl)-phenyl)-(7-(4-(trifluoromethyl)-phenyl)-2-naphthoic acid
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 49.33
Molecular weight 475.18
XLogP 7.75
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F
Isomeric SMILES OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F
InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4-(piperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Synonyms Click here for help
4-((piperindin-4-yl)-phenyl)-(7-(4-(trifluoromethyl)-phenyl)-2-naphthoic acid
Database Links Click here for help
Specialist databases
GPCRdb Ligand PPTN
Other databases
ChEMBL Ligand CHEMBL1800685
GtoPdb PubChem SID 178102427
PubChem CID 42611190
Search Google for chemical match using the InChIKey FOECKIWHCOYYFL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FOECKIWHCOYYFL
UniChem Compound Search for chemical match using the InChIKey FOECKIWHCOYYFL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FOECKIWHCOYYFL-UHFFFAOYSA-N