Chemical Components in the PDB

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7M5 : Summary

Code

7M5

One-letter code

X

Molecule name

4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline

Formula

C16 H11 N3

Formal charge

0

Molecular weight

245.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 c1ccc2n3cccc3c(nc2c1)c4cccnc4
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4
Canonical SMILES CACTVS 3.385 c1ccc2n3cccc3c(nc2c1)c4cccnc4
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4

IUPAC InChI

InChI=1S/C16H11N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11H

IUPAC InChI key

YYLFSLFSCWVKLI-UHFFFAOYSA-N
7M5

wwPDB Information

Atom count

30 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-18

Last modified at

2016-12-22

Status

Released

Obsoleted

Not Assigned