BFF

3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide



Chemical Component Summary

Name3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide
Synonyms3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-(pyrrolidin-1-yl)butyl)ureido)isothiazole-4-carboxamide
Identifiers3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide
FormulaC20 H24 Br F2 N5 O3 S
Molecular Weight532.402
TypeNON-POLYMER
Isomeric SMILESc1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br
InChIInChI=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)
InChIKeyHXHAJRMTJXHJJZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count58
Aromatic Bond Count11

Drug Info: DrugBank

DrugBank IDDB12962 
NameCP-547632
Groups investigational
DescriptionCP-547632 has been used in trials studying the treatment of Ovarian Cancer, Lung Neoplasms, Ovarian Neoplasms, Peritoneal Neoplasms, and Fallopian Tube Cancer, among others.
SynonymsCP-547632
Categories
  • Amides
  • Sulfur Compounds
CAS number252003-65-9

Related Resource References

Resource NameReference
Pharos CHEMBL253969
PubChem 9811611
ChEMBL CHEMBL253969