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- ChemComp-NZJ: 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: NZJ
NameName: 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide

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Chemical information

Composition
Formula: C14H18N2O2 / Number of atoms: 36 / Formula weight: 246.305 / Formal charge: 0
Others

5qs5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NZJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QS5
History
Create componentMay 29, 2019
Initial releaseJul 10, 2019
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

ACDLabs 12.01N1(CCC(CC1)C(N)=O)C(c2cccc(c2)C)=O
CACTVS 3.385Cc1cccc(c1)C(=O)N2CCC(CC2)C(N)=O
OpenEye OEToolkits 2.0.6Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N

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SMILES CANONICAL

CACTVS 3.385Cc1cccc(c1)C(=O)N2CCC(CC2)C(N)=O
OpenEye OEToolkits 2.0.6Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N

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InChI

InChI 1.03InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)

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InChIKey

InChI 1.03VSYPROQBASLXDK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
OpenEye OEToolkits 2.0.61-(3-methylphenyl)carbonylpiperidine-4-carboxamide

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PDB entries

Showing all 6 items

PDB-5qs5:
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32400357

PDB-5rzu:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z32400357

PDB-5s5d:
Tubulin-Z32400357-complex

PDB-5slg:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357

PDB-7hm2:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z32400357

PDB-7ht5:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z32400357

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