LY97241   Click here for help

GtoPdb Ligand ID: 2606

Synonyms: LY 97241 | LY-97241
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 1
Hydrogen bond donors 0
Rotatable bonds 13
Topological polar surface area 46.38
Molecular weight 320.25
XLogP 6.23
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCCCCCN(CCCCc1ccc(cc1)[N+](=O)[O-])CC
Isomeric SMILES CCCCCCCN(CCCCc1ccc(cc1)[N+](=O)[O-])CC
InChI InChI=1S/C19H32N2O2/c1-3-5-6-7-9-16-20(4-2)17-10-8-11-18-12-14-19(15-13-18)21(22)23/h12-15H,3-11,16-17H2,1-2H3
InChI Key YTYATOMQOOFRNA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-ethyl-N-[4-(4-nitrophenyl)butyl]heptan-1-amine
Synonyms Click here for help
LY 97241 | LY-97241
Database Links Click here for help
BindingDB Ligand 50151853
ChEMBL Ligand CHEMBL182977
GtoPdb PubChem SID 135650562
PubChem CID 175064
Search Google for chemical match using the InChIKey YTYATOMQOOFRNA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YTYATOMQOOFRNA
Search UniChem for chemical match using the InChIKey YTYATOMQOOFRNA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YTYATOMQOOFRNA