P7F

(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid

Created: 2018-07-10
Last modified:  2020-01-15

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count1
Bond Count69
Aromatic Bond Count22
2D diagram of P7F
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Chemical Component Summary

Name(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
Systematic Name (OpenEye OEToolkits)(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
FormulaC28 H30 N2 O6
Molecular Weight490.548
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC[CH](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O
SMILESOpenEye OEToolkits2.0.6CCC(C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3
Canonical SMILESCACTVS3.385 CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3
InChIInChI1.03 InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
InChIKeyInChI1.03 ZHKNLJLMDFQVHJ-RUZDIDTESA-N

Drug Info: DrugBank

DrugBank IDDB15212 
NamePemafibrate
Groups investigational
DescriptionPemafibrate is under investigation in clinical trial NCT03350165 (A Study of Pemafibrate in Patients With Nonalcoholic Fatty Liver Disease (NAFLD)).
SynonymsPemafibrate
Categories
  • Acids, Acyclic
  • Fatty Acids
  • Fatty Acids, Volatile
  • Heterocyclic Compounds, Fused-Ring
  • Lipids
CAS number848259-27-8

Related Resource References

Resource NameReference
Pharos CHEMBL247951
PubChem 11526038
ChEMBL CHEMBL247951
CCDC/CSD VELPOV