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- ChemComp-IZM: 5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dim... -

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Basic information

EntryDatabase: PDB chemical components / ID: IZM
NameName: 5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine

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Chemical information

Composition
Formula: C15H15N3O2S / Number of atoms: 36 / Formula weight: 301.364 / Formal charge: 0
Others

7ynp

Type: non-polymer / PDB classification: HETAIN / Three letter code: IZM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7YNP
History
Create componentAug 4, 2022
Initial releaseAug 2, 2023
External linksUniChem / ChemSpider / 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 3.385COc1ccc2nc(oc2c1)C=Cc3sc(nc3)N(C)C
OpenEye OEToolkits 2.0.7CN(C)c1ncc(s1)C=Cc2nc3ccc(cc3o2)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc2nc(oc2c1)/C=C/c3sc(nc3)N(C)C
OpenEye OEToolkits 2.0.7CN(C)c1ncc(s1)/C=C/c2nc3ccc(cc3o2)OC

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InChI

InChI 1.06InChI=1S/C15H15N3O2S/c1-18(2)15-16-9-11(21-15)5-7-14-17-12-6-4-10(19-3)8-13(12)20-14/h4-9H,1-3H3/b7-5+

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InChIKey

InChI 1.06OUTYOEMCQQPMJT-FNORWQNLSA-N

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PDB entries

Showing all 1 items

PDB-7ynp:
BF227-bound alpha-synuclein fibrils

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