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- ChemComp-OPW: ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: OPW
NameName: ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide

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Chemical information

Composition
Formula: C15H13N3O2S / Number of atoms: 34 / Formula weight: 299.348 / Formal charge: 0
Others

6yf8

Type: non-polymer / PDB classification: HETAIN / Three letter code: OPW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YF8
History
Create componentMar 26, 2020
Initial releaseApr 7, 2021
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / PubChem / SureChEMBL / 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 3.385COc1ccc2sc(nc2c1)c3cncc(NC(C)=O)c3
OpenEye OEToolkits 2.0.7CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc2sc(nc2c1)c3cncc(NC(C)=O)c3
OpenEye OEToolkits 2.0.7CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC

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InChI

InChI 1.03InChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19)

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InChIKey

InChI 1.03JLUXIHDOQQZMIZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6yf8:
DYRK1A with PST001

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