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- ChemComp-SJN: 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: SJN
NameName: 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
Synonyms: 7-methyl-4-oxidanylidene-3~{H}-1,8-naphthyridine-3-carboxylic acid; 1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic ...Synonyms: 7-methyl-4-oxidanylidene-3~{H}-1,8-naphthyridine-3-carboxylic acid; 1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid; 3-Carboxy-4-hydroxy-7-methyl-1,8-naphthyridine

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Chemical information

Composition
Formula: C10H8N2O3 / Number of atoms: 23 / Formula weight: 204.182 / Formal charge: 0
Others

7b02

Type: non-polymer / PDB classification: HETAIN / Three letter code: SJN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7B02
History
Create componentNov 18, 2020
Initial releaseMay 19, 2021
External linksUniChem / ChemSpider / ChemicalBook / Nikkaji / PubChem / 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 3.385Cc1ccc2C(=O)C(=CNc2n1)C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccc2c(n1)NC=C(C2=O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385Cc1ccc2C(=O)C(=CNc2n1)C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccc2c(n1)NC=C(C2=O)C(=O)O

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InChI

InChI 1.03InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)

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InChIKey

InChI 1.03WHJTTWIMQIGVJK-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7b02:
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid

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