VEGF receptor 2 kinase inhibitor II   Click here for help

GtoPdb Ligand ID: 6054

Synonyms: indolin-2-one deriv. 4b
Compound class: Synthetic organic
Comment: This is compound 4b in [3]. This paper refers to [4] for the method used for the kinase assay. However, this referenced article does not make clear which species isozymes were used in the experiments. We have mapped the associated data with the human VEGFR2.
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 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 44.89
Molecular weight 342.04
XLogP 3.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Brc1ccc2c(c1)C(=Cc1cc3c([nH]1)CCCC3)C(=O)N2
Isomeric SMILES Brc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)/C(=O)N2
InChI InChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-
InChI Key RFHPWPWVGFSLOP-ZROIWOOFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
Synonyms Click here for help
indolin-2-one deriv. 4b
Database Links Click here for help
CAS Registry No. 288144-20-7
ChEMBL Ligand CHEMBL88606
GtoPdb PubChem SID 178102675
PubChem CID 5329155
Search Google for chemical match using the InChIKey RFHPWPWVGFSLOP-ZROIWOOFSA-N
Search Google for chemicals with the same backbone RFHPWPWVGFSLOP
Search UniChem for chemical match using the InChIKey RFHPWPWVGFSLOP-ZROIWOOFSA-N
Search UniChem for chemicals with the same backbone RFHPWPWVGFSLOP