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- ChemComp-7NE: ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate -

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Basic information

EntryDatabase: PDB chemical components / ID: 7NE
NameName: ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate

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Chemical information

Composition
Formula: C17H15NO4 / Number of atoms: 37 / Formula weight: 297.305 / Formal charge: 0
Others

7wyf

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7NE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7WYF
History
Create componentFeb 21, 2022
Initial releaseFeb 22, 2023
External linksUniChem / ChemSpider / ChEMBL / 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)C1=C(Nc2ccc3ccccc3c2)OCC1=O
OpenEye OEToolkits 2.0.7CCOC(=O)C1=C(OCC1=O)Nc2ccc3ccccc3c2

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SMILES CANONICAL

CACTVS 3.385CCOC(=O)C1=C(Nc2ccc3ccccc3c2)OCC1=O
OpenEye OEToolkits 2.0.7CCOC(=O)C1=C(OCC1=O)Nc2ccc3ccccc3c2

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InChI

InChI 1.03InChI=1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-9,18H,2,10H2,1H3

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InChIKey

InChI 1.03KDQAZKWASGPNFD-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7wyf:
Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with its inhibitor 50

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