Chemical Components in the PDB

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LDR : Summary

Code

LDR

One-letter code

X

Molecule name

phenanthridin-6(5H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 phenanthridin-6(5H)-one
OpenEye OEToolkits 1.7.2 5H-phenanthridin-6-one

Formula

C13 H9 N O

Formal charge

0

Molecular weight

195.217 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2c3c(c1c(cccc1)N2)cccc3
SMILES CACTVS 3.370 O=C1Nc2ccccc2c3ccccc13
SMILES OpenEye OEToolkits 1.7.2 c1ccc2c(c1)-c3ccccc3NC2=O
Canonical SMILES CACTVS 3.370 O=C1Nc2ccccc2c3ccccc13
Canonical SMILES OpenEye OEToolkits 1.7.2 c1ccc2c(c1)-c3ccccc3NC2=O

IUPAC InChI

InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)

IUPAC InChI key

RZFVLEJOHSLEFR-UHFFFAOYSA-N
LDR

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-14

Last modified at

2011-07-01

Status

Released

Obsoleted

Not Assigned