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- ChemComp-89W: N-[(3R)-piperidin-3-yl]benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 89W
NameName: N-[(3R)-piperidin-3-yl]benzamide

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Chemical information

Composition
Formula: C12H16N2O / Number of atoms: 31 / Formula weight: 204.268 / Formal charge: 0
Others

5sbk

Type: non-polymer / PDB classification: HETAIN / Three letter code: 89W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SBK
History
Create componentSep 14, 2021
Initial releaseSep 22, 2021
External linksUniChem / ChemSpider / 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

ACDLabs 12.01O=C(NC1CCCNC1)c1ccccc1
CACTVS 3.385O=C(N[CH]1CCCNC1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)NC2CCCNC2

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SMILES CANONICAL

CACTVS 3.385O=C(N[C@@H]1CCCNC1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)N[C@@H]2CCCNC2

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InChI

InChI 1.03InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m1/s1

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InChIKey

InChI 1.03ZFLKDMGBVZHBAC-LLVKDONJSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(3R)-piperidin-3-yl]benzamide
OpenEye OEToolkits 2.0.7~{N}-[(3~{R})-piperidin-3-yl]benzamide

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PDB entries

Showing all 3 items

PDB-5sbk:
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1258992717

PDB-7goi:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1456069604

PDB-7h32:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1456069604 (A71EV2A-x0269)

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