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- ChemComp-IDL: imidazo[1,2-a]pyridin-3-ylacetic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: IDL
NameName: imidazo[1,2-a]pyridin-3-ylacetic acid

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Chemical information

Composition
Formula: C9H8N2O2 / Number of atoms: 21 / Formula weight: 176.172 / Formal charge: 0
Others

3usd

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IDL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3USD
History
Create componentNov 29, 2011
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(O)Cc1cnc2ccccn12
CACTVS 3.370OC(=O)Cc1cnc2ccccn12
OpenEye OEToolkits 1.7.6c1ccn2c(c1)ncc2CC(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)Cc1cnc2ccccn12
OpenEye OEToolkits 1.7.6c1ccn2c(c1)ncc2CC(=O)O

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InChI

InChI 1.03InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)

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InChIKey

InChI 1.03ZVBVKRNOISRONE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01imidazo[1,2-a]pyridin-3-ylacetic acid
OpenEye OEToolkits 1.7.62-imidazo[1,2-a]pyridin-3-ylethanoic acid

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PDB entries

Showing all 1 items

PDB-3usd:
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Imidazol (1,2 a) pyridine3-yl-acitic acid at 2.4 A Resolution

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