Chemical Components in the PDB

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FBX : Summary

Code

FBX

One-letter code

X

Molecule name

ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate

Synonyms

Retigabine, Ezogabine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate

Formula

C16 H18 F N3 O2

Formal charge

0

Molecular weight

303.331 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F
Canonical SMILES CACTVS 3.385 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Canonical SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F

IUPAC InChI

InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)

IUPAC InChI key

PCOBBVZJEWWZFR-UHFFFAOYSA-N
FBX

wwPDB Information

Atom count

40 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-27

Last modified at

2020-11-05

Status

Released

Obsoleted

Not Assigned