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- ChemComp-9KZ: ethyl 2,4-dimethylquinoline-3-carboxylate -

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Basic information

EntryDatabase: PDB chemical components / ID: 9KZ
NameName: ethyl 2,4-dimethylquinoline-3-carboxylate

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Chemical information

Composition
Formula: C14H15NO2 / Number of atoms: 32 / Formula weight: 229.274 / Formal charge: 0
Others

5o4v

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9KZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5O4V
History
Create componentMay 31, 2017
Initial releaseMay 16, 2018
External linksUniChem / ChemSpider / ChEMBL / 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

CACTVS 3.385CCOC(=O)c1c(C)nc2ccccc2c1C
OpenEye OEToolkits 2.0.6CCOC(=O)c1c(c2ccccc2nc1C)C

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SMILES CANONICAL

CACTVS 3.385CCOC(=O)c1c(C)nc2ccccc2c1C
OpenEye OEToolkits 2.0.6CCOC(=O)c1c(c2ccccc2nc1C)C

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InChI

InChI 1.03InChI=1S/C14H15NO2/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3/h5-8H,4H2,1-3H3

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InChIKey

InChI 1.03ASEYONPNBCGPAZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6ethyl 2,4-dimethylquinoline-3-carboxylate

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PDB entries

Showing all 1 items

PDB-5o4v:
P.vivax NMT with aminomethylindazole and quinoline inhibitors bound

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