Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.

G9L : Summary

Code

G9L

One-letter code

X

Molecule name

8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

Formula

C20 H24 F N3 O2

Formal charge

0

Molecular weight

357.422 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 Fc1ccc2C3=C(CCN(C3)C(=O)CCN4CCCCC4)NC(=O)c2c1
SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4
Canonical SMILES CACTVS 3.352 Fc1ccc2C3=C(CCN(C3)C(=O)CCN4CCCCC4)NC(=O)c2c1
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4

IUPAC InChI

InChI=1S/C20H24FN3O2/c21-14-4-5-15-16(12-14)20(26)22-18-6-11-24(13-17(15)18)19(25)7-10-23-8-2-1-3-9-23/h4-5,12H,1-3,6-11,13H2,(H,22,26)

IUPAC InChI key

CTOQXIXQHAILCA-UHFFFAOYSA-N
G9L

wwPDB Information

Atom count

50 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-11-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned