Chemical Components in the PDB

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3J8 : Summary

Code

3J8

One-letter code

X

Molecule name

5-methylphenazin-1(5H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 5-methylphenazin-1(5H)-one
OpenEye OEToolkits 1.7.2 5-methylphenazin-1-one

Formula

C13 H10 N2 O

Formal charge

0

Molecular weight

210.231 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C3C2=Nc1c(cccc1)N(C2=CC=C3)C
SMILES CACTVS 3.370 CN1c2ccccc2N=C3C(=O)C=CC=C13
SMILES OpenEye OEToolkits 1.7.2 CN1c2ccccc2N=C3C1=CC=CC3=O
Canonical SMILES CACTVS 3.370 CN1c2ccccc2N=C3C(=O)C=CC=C13
Canonical SMILES OpenEye OEToolkits 1.7.2 CN1c2ccccc2N=C3C1=CC=CC3=O

IUPAC InChI

InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3

IUPAC InChI key

YNCMLFHHXWETLD-UHFFFAOYSA-N
3J8

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-09-25

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned