3OS

2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide
Identifiers	2-[(4-ethynyl-2-fluoro-phenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-(2-hydroxyethoxyiminomethyl)benzamide
Formula	C₂₀ H₁₈ F₃ N₃ O₅
Molecular Weight	437.369
Type	NON-POLYMER
Isomeric SMILES	C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO
InChI	InChI=1S/C20H18F3N3O5/c1-2-12-3-4-16(15(21)9-12)25-19-14(20(29)26-31-8-6-28)10-13(17(22)18(19)23)11-24-30-7-5-27/h1,3-4,9-11,25,27-28H,5-8H2,(H,26,29)/b24-11+
InChIKey	NLXYHBBGDADWQY-BHGWPJFGSA-N

Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	12

Related Resource References

Resource Name	Reference
PubChem	11430524
ChEMBL	CHEMBL1684486

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.