Chemical Components in the PDB

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7M9 : Summary

Code

7M9

One-letter code

X

Molecule name

1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol

Formula

C21 H14 N2 O

Formal charge

0

Molecular weight

310.349 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1ccc2ccccc2c1c3nc4ccccc4n5cccc35
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O
Canonical SMILES CACTVS 3.385 Oc1ccc2ccccc2c1c3nc4ccccc4n5cccc35
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O

IUPAC InChI

InChI=1S/C21H14N2O/c24-19-12-11-14-6-1-2-7-15(14)20(19)21-18-10-5-13-23(18)17-9-4-3-8-16(17)22-21/h1-13,24H

IUPAC InChI key

IESKGGHNIDBTKX-UHFFFAOYSA-N
7M9

wwPDB Information

Atom count

38 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-20

Last modified at

2016-12-22

Status

Released

Obsoleted

Not Assigned