L5H

~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide

Created:	2019-07-22
Last modified:	2019-10-30

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1 entries where L5H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	17

2D diagram of L5H

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Chemical Component Summary
Name	~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide
Formula	C₁₉ H₁₂ F₃ N₅ O₃
Molecular Weight	415.325
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC(F)(F)c1cc2NC(=O)C(=O)N(NC(=O)c3ccccc3)c2cc1n4ccnc4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1cc2NC(=O)C(=O)N(NC(=O)c3ccccc3)c2cc1n4ccnc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4
InChI	InChI	1.03	InChI=1S/C19H12F3N5O3/c20-19(21,22)12-8-13-15(9-14(12)26-7-6-23-10-26)27(18(30)17(29)24-13)25-16(28)11-4-2-1-3-5-11/h1-10H,(H,24,29)(H,25,28)
InChIKey	InChI	1.03	IOLCYQPDALFXJR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139582018

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.