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- ChemComp-PW2: 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: PW2
NameName: 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid

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Chemical information

Composition
Formula: C19H16N2O5 / Number of atoms: 42 / Formula weight: 352.341 / Formal charge: 0
Others

6yvt

Type: non-polymer / PDB classification: HETAIN / Three letter code: PW2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YVT
History
Create componentApr 29, 2020
Initial releaseMay 20, 2020
External linksUniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / 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 3.385COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(O)=O
OpenEye OEToolkits 2.0.7COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O

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SMILES CANONICAL

CACTVS 3.385COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(O)=O
OpenEye OEToolkits 2.0.7COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O

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InChI

InChI 1.03InChI=1S/C19H16N2O5/c1-26-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16(22)18(20-9-14)19(25)21-10-17(23)24/h2-9,22H,10H2,1H3,(H,21,25)(H,23,24)

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InChIKey

InChI 1.03PJNFXXUNCQIGBZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6yvt:
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253

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