Chemical Component Summary

Name3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid
Identifiers3-[2-[1-(3-fluoranyl-4-oxidanyl-phenyl)-1,2,3-triazol-4-yl]quinolin-5-yl]oxybenzoic acid
FormulaC24 H15 F N4 O4
Molecular Weight442.399
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O
InChIInChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)
InChIKeyRXHQCISHMPQZDT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count52
Aromatic Bond Count28

Related Resource References

Resource NameReference
Pharos CHEMBL3917143
PubChem 91667576
ChEMBL CHEMBL3917143