Chemical Components in the PDB

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TJX : Summary

Code

TJX

One-letter code

X

Molecule name

1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine
OpenEye OEToolkits 2.0.7 imidazo[1,2-a]pyridin-7-ylmethanamine

Formula

C8 H9 N3

Formal charge

0

Molecular weight

147.177 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCc1cc2nccn2cc1
SMILES CACTVS 3.385 NCc1ccn2ccnc2c1
SMILES OpenEye OEToolkits 2.0.7 c1cn2ccnc2cc1CN
Canonical SMILES CACTVS 3.385 NCc1ccn2ccnc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cn2ccnc2cc1CN

IUPAC InChI

InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2

IUPAC InChI key

JOQDUOWWWPMEHJ-UHFFFAOYSA-N
TJX

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-28

Last modified at

2023-11-24

Status

Released

Obsoleted

Not Assigned