(+)-S-14297   Click here for help

GtoPdb Ligand ID: 955

Synonyms: (+)S14297
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 5
Topological polar surface area 12.47
Molecular weight 273.21
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCN(C1CCc2c(C1)cc1c(c2)CCO1)CCC
Isomeric SMILES CCCN(C1CCc2c(C1)cc1c(c2)CCO1)CCC
InChI InChI=1S/C18H27NO/c1-3-8-19(9-4-2)17-6-5-14-11-15-7-10-20-18(15)13-16(14)12-17/h11,13,17H,3-10,12H2,1-2H3
InChI Key IJICKINLCUKIHY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,N-dipropyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzoxol-7-amine
Synonyms Click here for help
(+)S14297
Database Links Click here for help
BindingDB Ligand 50133937
CAS Registry No. 157622-55-4 (source: Scifinder)
ChEMBL Ligand CHEMBL140184
GtoPdb PubChem SID 135650956
PubChem CID 115007
Search Google for chemical match using the InChIKey IJICKINLCUKIHY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IJICKINLCUKIHY
UniChem Compound Search for chemical match using the InChIKey IJICKINLCUKIHY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IJICKINLCUKIHY-UHFFFAOYSA-N