VU0404251   Click here for help

GtoPdb Ligand ID: 6410

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 51.22
Molecular weight 330.17
XLogP 4.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Fc1cccc(c1)COc1ccc(cn1)C(=O)NC(C(C)(C)C)C
Isomeric SMILES Fc1cccc(c1)COc1ccc(cn1)C(=O)N[C@@H](C(C)(C)C)C
InChI InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1
InChI Key VOYBJCDMLJODRK-CYBMUJFWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
Database Links Click here for help
Specialist databases
GPCRdb Ligand VU0404251
Other databases
ChEMBL Ligand CHEMBL2151817
GtoPdb PubChem SID 178103026
PubChem CID 58368068
Search Google for chemical match using the InChIKey VOYBJCDMLJODRK-CYBMUJFWSA-N
Search Google for chemicals with the same backbone VOYBJCDMLJODRK
UniChem Compound Search for chemical match using the InChIKey VOYBJCDMLJODRK-CYBMUJFWSA-N
UniChem Connectivity Search for chemical match using the InChIKey VOYBJCDMLJODRK-CYBMUJFWSA-N