G15   Click here for help

GtoPdb Ligand ID: 3320

Synonyms: G-15
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 1
Rotatable bonds 1
Topological polar surface area 30.49
Molecular weight 369.04
XLogP 4.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Brc1cc2OCOc2cc1C1Nc2ccccc2C2C1CC=C2
Isomeric SMILES Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@H]2[C@@H]1CC=C2
InChI InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1
InChI Key YOLTZIVRJAPVPH-MJLGCCKJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Synonyms Click here for help
G-15
Database Links Click here for help
ChEMBL Ligand CHEMBL583543
GtoPdb PubChem SID 178100354
PubChem CID 7433743
Search Google for chemical match using the InChIKey YOLTZIVRJAPVPH-MJLGCCKJSA-N
Search Google for chemicals with the same backbone YOLTZIVRJAPVPH
Search UniChem for chemical match using the InChIKey YOLTZIVRJAPVPH-MJLGCCKJSA-N
Search UniChem for chemicals with the same backbone YOLTZIVRJAPVPH