T-226296   Click here for help

GtoPdb Ligand ID: 1314

Synonyms: T 226296 | T226296
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 6
Topological polar surface area 32.34
Molecular weight 402.21
XLogP 5.65
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CN(CC1CCc2c(C1)ccc(c2)NC(=O)c1ccc(cc1)c1ccc(cc1)F)C
Isomeric SMILES CN(CC1CCc2c(C1)ccc(c2)NC(=O)c1ccc(cc1)c1ccc(cc1)F)C
InChI InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
InChI Key GXAQELJVODWLDD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[6-(dimethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)benzamide
Synonyms Click here for help
T 226296 | T226296
Database Links Click here for help
BindingDB Ligand 50150715
CAS Registry No. 331758-35-1 (source: Scifinder)
ChEMBL Ligand CHEMBL178707
GtoPdb PubChem SID 135651224
PubChem CID 9865843
Search Google for chemical match using the InChIKey GXAQELJVODWLDD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GXAQELJVODWLDD
Search UniChem for chemical match using the InChIKey GXAQELJVODWLDD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GXAQELJVODWLDD