A1L7B

Azumolene

Created:	2025-01-08
Last modified:	2025-10-22

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1 entries where A1L7B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	11

2D diagram of A1L7B

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Chemical Component Summary
Name	Azumolene
Systematic Name (OpenEye OEToolkits)	1-[(~{E})-[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione
Formula	C₁₃ H₉ Br N₄ O₃
Molecular Weight	349.14
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Brc1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)nc2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cnc(o2)C=NN3CC(=O)NC3=O)Br
Canonical SMILES	CACTVS	3.385	Brc1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)nc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cnc(o2)/C=N/N3CC(=O)NC3=O)Br
InChI	InChI	1.06	InChI=1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/b16-6+
InChIKey	InChI	1.06	SEGCNGONCZQFDW-OMCISZLKSA-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.