CGP53353   

GtoPdb Ligand ID: 5163

Synonyms: CGP 53353 | CGP-53353 | PKCbII/EGFR Inhibitor
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 70.23
Molecular weight 365.1
XLogP 3.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F
Isomeric SMILES Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F
InChI InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
InChI Key RONQPWQYDRPRGG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5,6-bis[(4-fluorophenyl)amino]-2,3-dihydro-1H-isoindole-1,3-dione
Synonyms
CGP 53353 | CGP-53353 | PKCbII/EGFR Inhibitor
Database Links
CAS Registry No. 145915-60-2
ChEMBL Ligand CHEMBL7939
GtoPdb PubChem SID 178101854
PubChem CID 6711154
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Tocris
CGP 53353
Cat. No. 2442