Chemical Components in the PDB

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PXX : Summary

Code

PXX

One-letter code

X

Molecule name

N-1,10-phenanthrolin-5-ylacetamide

Systematic names

ProgramVersionName
ACDLabs 10.04 N-1,10-phenanthrolin-5-ylacetamide
OpenEye OEToolkits 1.5.0 N-(1,10-phenanthrolin-5-yl)ethanamide

Formula

C14 H11 N3 O

Formal charge

0

Molecular weight

237.257 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc2cc1cccnc1c3ncccc23)C
SMILES CACTVS 3.341 CC(=O)Nc1cc2cccnc2c3ncccc13
SMILES OpenEye OEToolkits 1.5.0 CC(=O)Nc1cc2cccnc2c3c1cccn3
Canonical SMILES CACTVS 3.341 CC(=O)Nc1cc2cccnc2c3ncccc13
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)Nc1cc2cccnc2c3c1cccn3

IUPAC InChI

InChI=1S/C14H11N3O/c1-9(18)17-12-8-10-4-2-6-15-13(10)14-11(12)5-3-7-16-14/h2-8H,1H3,(H,17,18)

IUPAC InChI key

AAJXINSCZMZERD-UHFFFAOYSA-N
PXX

wwPDB Information

Atom count

29 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-01-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned