[3H]NFPS   

GtoPdb Ligand ID: 4619

Synonyms: [3H]-NFPS
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 49.77
Molecular weight 393.17
XLogP 5.44
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1
Isomeric SMILES CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1
InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)
InChI Key FDORQEIHOKEJNX-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-{[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl](methyl)amino}acetic acid
Synonyms
[3H]-NFPS
Database Links
ChEMBL Ligand CHEMBL26512
GtoPdb PubChem SID 178101337
PubChem CID 5311283
Search Google for chemical match using the InChIKey FDORQEIHOKEJNX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FDORQEIHOKEJNX
Search UniChem for chemical match using the InChIKey FDORQEIHOKEJNX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FDORQEIHOKEJNX

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Tocris
NFPS
Cat. No. 2789