Chemical Components in the PDB

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W6D : Summary

Code

W6D

One-letter code

X

Molecule name

1H-indole-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 1H-indole-4-carboxamide
OpenEye OEToolkits 2.0.7 1~{H}-indole-4-carboxamide

Formula

C9 H8 N2 O

Formal charge

0

Molecular weight

160.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2nc1cccc(C(N)=O)c1c2
SMILES CACTVS 3.385 NC(=O)c1cccc2[nH]ccc12
SMILES OpenEye OEToolkits 2.0.7 c1cc(c2cc[nH]c2c1)C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)c1cccc2[nH]ccc12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c2cc[nH]c2c1)C(=O)N

IUPAC InChI

InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)

IUPAC InChI key

ACRGIRLCXXEJCS-UHFFFAOYSA-N
W6D

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-29

Last modified at

2020-12-11

Status

Released

Obsoleted

Not Assigned