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- ChemComp-LDI: 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LDI
NameName: 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide

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Chemical information

Composition
Formula: C15H23N3O2 / Number of atoms: 43 / Formula weight: 277.362 / Formal charge: 0
Others

7u59

Type: non-polymer / PDB classification: HETAIN / Three letter code: LDI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7U59
History
Create componentMar 2, 2022
Initial releaseJan 11, 2023
External linksUniChem / ChemSpider / 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

ACDLabs 12.01ONC(=O)C1CCN(CCNCc2ccccc2)CC1
CACTVS 3.385ONC(=O)C1CCN(CCNCc2ccccc2)CC1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNCCN2CCC(CC2)C(=O)NO

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SMILES CANONICAL

CACTVS 3.385ONC(=O)C1CCN(CCNCc2ccccc2)CC1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNCCN2CCC(CC2)C(=O)NO

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InChI

InChI 1.03InChI=1S/C15H23N3O2/c19-15(17-20)14-6-9-18(10-7-14)11-8-16-12-13-4-2-1-3-5-13/h1-5,14,16,20H,6-12H2,(H,17,19)

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InChIKey

InChI 1.03IKRHDIZZKCLEPC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide
OpenEye OEToolkits 2.0.7~{N}-oxidanyl-1-[2-[(phenylmethyl)amino]ethyl]piperidine-4-carboxamide

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PDB entries

Showing all 1 items

PDB-7u59:
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Piperidine-4-hydroxamic acid Inhibitor

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