LQN

2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide

Created:	2019-09-02
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where LQN is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	18

2D diagram of LQN

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
Formula	C₂₀ H₁₄ F₃ N O Se
Molecular Weight	420.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[SeH])c2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH]
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[SeH])c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH]
InChI	InChI	1.03	InChI=1S/C20H14F3NOSe/c21-20(22,23)15-10-8-13(9-11-15)14-4-3-5-16(12-14)24-19(25)17-6-1-2-7-18(17)26/h1-12,26H,(H,24,25)
InChIKey	InChI	1.03	KDJGCBCDXDUUBJ-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.