CP-547632   Click here for help

GtoPdb Ligand ID: 7881

Synonyms: CP 547,632 | CP 547632 | CP-547,632 | CP547632
PDB Ligand
Compound class: Synthetic organic
Comment: CP-547632 is a potent inhibitor of VEGFR2 and basic fibroblast growth factor (FGF) receptor kinases [1].
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 7
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 137.82
Molecular weight 531.08
XLogP 3.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(Nc1snc(c1C(=O)N)OCc1c(F)cc(cc1F)Br)NCCCCN1CCCC1
Isomeric SMILES O=C(Nc1snc(c1C(=O)N)OCc1c(F)cc(cc1F)Br)NCCCCN1CCCC1
InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
InChI Key HXHAJRMTJXHJJZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide
Synonyms Click here for help
CP 547,632 | CP 547632 | CP-547,632 | CP547632
Database Links Click here for help
CAS Registry No. 252003-65-9
ChEMBL Ligand CHEMBL253969
GtoPdb PubChem SID 223366210
PubChem CID 9811611
RCSB PDB Ligand BFF
Search Google for chemical match using the InChIKey HXHAJRMTJXHJJZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HXHAJRMTJXHJJZ
Search UniChem for chemical match using the InChIKey HXHAJRMTJXHJJZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HXHAJRMTJXHJJZ