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- ChemComp-1QP: ethyl pyrazolo[1,5-a]pyridine-3-carboxylate -

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Basic information

EntryDatabase: PDB chemical components / ID: 1QP
NameName: ethyl pyrazolo[1,5-a]pyridine-3-carboxylate

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Chemical information

Composition
Formula: C10H10N2O2 / Number of atoms: 24 / Formula weight: 190.199 / Formal charge: 0
Others

4kfb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1QP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4KFB
History
Create componentApr 29, 2013
Initial releaseMay 15, 2013
Other modificationMay 17, 2013
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / 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(OCC)c1c2ccccn2nc1
CACTVS 3.370CCOC(=O)c1cnn2ccccc12
OpenEye OEToolkits 1.7.6CCOC(=O)c1cnn2c1cccc2

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SMILES CANONICAL

CACTVS 3.370CCOC(=O)c1cnn2ccccc12
OpenEye OEToolkits 1.7.6CCOC(=O)c1cnn2c1cccc2

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InChI

InChI 1.03InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7H,2H2,1H3

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InChIKey

InChI 1.03IDHMFSBXNNIWCT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
OpenEye OEToolkits 1.7.6ethyl pyrazolo[1,5-a]pyridine-3-carboxylate

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PDB entries

Showing all 1 items

PDB-4kfb:
HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site

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