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- ChemComp-WZY: N-(4-methoxyphenyl)glycinamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: WZY
NameName: N-(4-methoxyphenyl)glycinamide

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Chemical information

Composition
Formula: C9H12N2O2 / Number of atoms: 25 / Formula weight: 180.204 / Formal charge: 0
Others

5s5a

Type: non-polymer / PDB classification: HETAIN / Three letter code: WZY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5S5A
History
Create componentNov 19, 2020
Initial releaseJun 30, 2021
External linksUniChem / ChemSpider / PubChem / PubChem_TPharma / 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 12.01N(c1ccc(cc1)OC)C(CN)=O
CACTVS 3.385COc1ccc(NC(=O)CN)cc1
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NC(=O)CN

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SMILES CANONICAL

CACTVS 3.385COc1ccc(NC(=O)CN)cc1
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NC(=O)CN

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InChI

InChI 1.03InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)

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InChIKey

InChI 1.03MAVJTZKUNOKGPF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(4-methoxyphenyl)glycinamide
OpenEye OEToolkits 2.0.72-azanyl-~{N}-(4-methoxyphenyl)ethanamide

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PDB entries

Showing all 5 items

PDB-5s5a:
Tubulin-Z1449748885-complex

PDB-7g8y:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885

PDB-7gts:
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000604a

PDB-8pli:
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 19.

PDB-9f4t:
UP1 in complex with EN300-805013

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