Chemical Components in the PDB

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LQN : Summary

Code

LQN

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide

Formula

C20 H14 F3 N O Se

Formal charge

0

Molecular weight

420.286 Da

SMILES

TypeProgramVersionDescriptor
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]

IUPAC InChI

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)

IUPAC InChI key

KDJGCBCDXDUUBJ-UHFFFAOYSA-N
LQN

wwPDB Information

Atom count

40 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-02

Last modified at

2020-03-13

Status

Released

Obsoleted

Not Assigned