ZP2

(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone

Created: 2023-06-29
Last modified:  2024-05-08

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count33
Aromatic Bond Count12
2D diagram of ZP2

Chemical Component Summary

Name(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone
SynonymsPharmacokinetically Improved TTR Binder (PITB)
Systematic Name (OpenEye OEToolkits)(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone
FormulaC14 H10 F N O6
Molecular Weight307.231
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2
SMILESOpenEye OEToolkits2.0.7COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O
Canonical SMILESCACTVS3.385 COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2
Canonical SMILESOpenEye OEToolkits2.0.7 COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O
InChIInChI1.06 InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3
InChIKeyInChI1.06 LHCGDAFIWWCKGM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 169450070