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- ChemComp-TAH: 2-(benzyloxy)benzohydrazide -

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Basic information

EntryDatabase: PDB chemical components / ID: TAH
NameName: 2-(benzyloxy)benzohydrazide / Synonyms: 2-phenylmethoxybenzohydrazide; 935766

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Chemical information

Composition
Formula: C14H14N2O2 / Number of atoms: 32 / Formula weight: 242.273 / Formal charge: 0
Others

7bc8

Type: non-polymer / PDB classification: HETAIN / Three letter code: TAH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BC8
History
Create componentDec 20, 2020
Modify synonymsMar 8, 2021
Initial releaseJan 12, 2022
External linksUniChem / ChemSpider / ChEMBL / CompTox / PubChem / 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 3.385NNC(=O)c1ccccc1OCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccccc2C(=O)NN

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SMILES CANONICAL

CACTVS 3.385NNC(=O)c1ccccc1OCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccccc2C(=O)NN

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InChI

InChI 1.03InChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)

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InChIKey

InChI 1.03WPIKJQNXQSBHPU-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-7bc8:
Notum Fragment 658

PDB-7gtr:
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000587a

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