Chemical Components in the PDB

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EYF : Summary

Code

EYF

One-letter code

X

Molecule name

1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide

Formula

C16 H15 N3 O3

Formal charge

0

Molecular weight

297.309 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cccc(Cn2ccc3cc(cnc23)C(=O)NO)c1
SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO
Canonical SMILES CACTVS 3.385 COc1cccc(Cn2ccc3cc(cnc23)C(=O)NO)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO

IUPAC InChI

InChI=1S/C16H15N3O3/c1-22-14-4-2-3-11(7-14)10-19-6-5-12-8-13(16(20)18-21)9-17-15(12)19/h2-9,21H,10H2,1H3,(H,18,20)

IUPAC InChI key

CUMWZHBISABRRE-UHFFFAOYSA-N
EYF

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-02-19

Last modified at

2021-02-19

Status

Released

Obsoleted

Not Assigned