F8P

2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid

Created:2018-03-15
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count12
2D diagram of F8P

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Chemical Component Summary

Name2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
Synonyms7-(4,4-difluorocyclohexyl) Analog of Amlexanox
Systematic Name (OpenEye OEToolkits)2-azanyl-7-[4,4-bis(fluoranyl)cyclohexyl]-5-oxidanylidene-chromeno[2,3-b]pyridine-3-carboxylic acid
FormulaC19 H16 F2 N2 O4
Molecular Weight374.338
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F)cc2C3=O)n4)C(O)=O)N
SMILESCACTVS3.385Nc1nc2Oc3ccc(cc3C(=O)c2cc1C(O)=O)C4CCC(F)(F)CC4
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O
Canonical SMILESCACTVS3.385 Nc1nc2Oc3ccc(cc3C(=O)c2cc1C(O)=O)C4CCC(F)(F)CC4
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O
InChIInChI1.03 InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26)
InChIKeyInChI1.03 YBTHXDAXRWKGKS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 130275496
ChEMBL CHEMBL4277066