Chemical Components in the PDB

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XU1 : Summary

Code

XU1

One-letter code

X

Molecule name

benzo[c][1,8]naphthyridin-6(5H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 benzo[c][1,8]naphthyridin-6(5H)-one
OpenEye OEToolkits 1.7.6 5H-benzo[c][1,8]naphthyridin-6-one

Formula

C12 H8 N2 O

Formal charge

0

Molecular weight

196.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2c3c(c1c(nccc1)N2)cccc3
SMILES CACTVS 3.370 O=C1Nc2ncccc2c3ccccc13
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)-c3cccnc3NC2=O
Canonical SMILES CACTVS 3.370 O=C1Nc2ncccc2c3ccccc13
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)-c3cccnc3NC2=O

IUPAC InChI

InChI=1S/C12H8N2O/c15-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)14-12/h1-7H,(H,13,14,15)

IUPAC InChI key

YLSBDRGLLZDAKB-UHFFFAOYSA-N
XU1

wwPDB Information

Atom count

23 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-21

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned