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- ChemComp-MJW: 2-phenylmethoxyaniline -

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Basic information

EntryDatabase: PDB chemical components / ID: MJW
NameName: 2-phenylmethoxyaniline

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Chemical information

Composition
Formula: C13H13NO / Number of atoms: 28 / Formula weight: 199.248 / Formal charge: 0
Others

6t5d

Type: non-polymer / PDB classification: HETAIN / Three letter code: MJW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6T5D
History
Create componentOct 16, 2019
Initial releaseAug 19, 2020
External linksUniChem / ChemSpider / CompTox / 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 3.385Nc1ccccc1OCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccccc2N

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SMILES CANONICAL

CACTVS 3.385Nc1ccccc1OCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccccc2N

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InChI

InChI 1.03InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2

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InChIKey

InChI 1.03PLPVLSBYYOWFKM-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-6t5d:
3C-like protease from Southampton virus complexed with FMOPL000014a.

PDB-7b8g:
Notum-Fragment 159

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