Chemical Components in the PDB

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9HP : Summary

Code

9HP

One-letter code

X

Molecule name

9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(2,7-phenanthrolin-9-yl)phenol
OpenEye OEToolkits 1.5.0 4-(2,7-phenanthrolin-9-yl)phenol

Formula

C18 H12 N2 O

Formal charge

0

Molecular weight

272.301 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2cc(c1ccc(O)cc1)cc4c2ccc3ccncc34
SMILES CACTVS 3.341 Oc1ccc(cc1)c2cnc3ccc4ccncc4c3c2
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4
Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)c2cnc3ccc4ccncc4c3c2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4

IUPAC InChI

InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H

IUPAC InChI key

IUSSGTWHFMSCOY-UHFFFAOYSA-N
9HP

wwPDB Information

Atom count

33 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-06-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned