VU0119498   Click here for help

GtoPdb Ligand ID: 7632

Synonyms: STK215777 | VU 0119498 | VU-0119498
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 0
Rotatable bonds 2
Topological polar surface area 37.38
Molecular weight 314.99
XLogP 3.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O
Isomeric SMILES Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O
InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
InChI Key DELLOEULSHGYCG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[(4-bromophenyl)methyl]indole-2,3-dione
Synonyms Click here for help
STK215777 | VU 0119498 | VU-0119498
Database Links Click here for help
CAS Registry No. 79183-37-2 (source: Scifinder)
ChEMBL Ligand CHEMBL523685
GtoPdb PubChem SID 223365967
PubChem CID 3008304
Search Google for chemical match using the InChIKey DELLOEULSHGYCG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DELLOEULSHGYCG
Search UniChem for chemical match using the InChIKey DELLOEULSHGYCG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DELLOEULSHGYCG