Chemical Components in the PDB

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E6Q : Summary

Code

E6Q

One-letter code

X

Molecule name

3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

Formula

C16 H10 N2 O

Formal charge

0

Molecular weight

246.263 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C1N=Cc2ccc3c([nH]cc3c4ccccc4)c12
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4
Canonical SMILES CACTVS 3.385 O=C1N=Cc2ccc3c([nH]cc3c4ccccc4)c12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4

IUPAC InChI

InChI=1S/C16H10N2O/c19-16-14-11(8-18-16)6-7-12-13(9-17-15(12)14)10-4-2-1-3-5-10/h1-9,17H

IUPAC InChI key

YJGNZVVUIPDSRL-UHFFFAOYSA-N
E6Q

wwPDB Information

Atom count

29 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-21

Last modified at

2018-05-11

Status

Released

Obsoleted

Not Assigned