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- ChemComp-NUM: N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: NUM
NameName: N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

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Chemical information

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

5qr0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NUM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QR0
History
Create componentMay 28, 2019
Initial releaseAug 7, 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 12.01N(C(c1ccccn1)=O)CCc2ccc(cc2)O
CACTVS 3.385Oc1ccc(CCNC(=O)c2ccccn2)cc1
OpenEye OEToolkits 2.0.6c1ccnc(c1)C(=O)NCCc2ccc(cc2)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(CCNC(=O)c2ccccn2)cc1
OpenEye OEToolkits 2.0.6c1ccnc(c1)C(=O)NCCc2ccc(cc2)O

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InChI

InChI 1.03InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)

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InChIKey

InChI 1.03YXENGKAXLJYJOP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
OpenEye OEToolkits 2.0.6~{N}-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

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PDB entries

Showing all 5 items

PDB-5qr0:
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z730649594

PDB-5snw:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z730649594

PDB-7bd2:
Notum Fragment 810

PDB-7fsl:
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z730649594

PDB-7ho2:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z730649594

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