A1EJW

3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one

Created:	2025-01-17
Last modified:	2025-05-14

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1 entries where A1EJW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of A1EJW

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Chemical Component Summary
Name	3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one
Systematic Name (OpenEye OEToolkits)	3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1~{H}-1,5-naphthyridin-2-one
Formula	C₁₅ H₁₂ Cl N₃ O₂
Molecular Weight	301.728
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C2=C(C(=O)Nc3c2ncc(c3)Cl)N)O
Canonical SMILES	CACTVS	3.385	Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C2=C(C(=O)Nc3c2ncc(c3)Cl)N)O
InChI	InChI	1.06	InChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21)
InChIKey	InChI	1.06	HOEBQLINEIJNTI-UHFFFAOYSA-N

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 R01GM157729.