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- ChemComp-T7U: N-cyclopropyl-2-hydroxybenzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: T7U
NameName: N-cyclopropyl-2-hydroxybenzamide

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Chemical information

Composition
Formula: C10H11NO2 / Number of atoms: 24 / Formula weight: 177.2 / Formal charge: 0
Others

7gqe

Type: non-polymer / PDB classification: HETAIN / Three letter code: T7U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GQE
History
Create componentAug 28, 2023
Initial releaseNov 29, 2023
External linksUniChem / ChemSpider / CompTox / 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(NC1CC1)c1ccccc1O
CACTVS 3.385Oc1ccccc1C(=O)NC2CC2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NC2CC2)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccccc1C(=O)NC2CC2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NC2CC2)O

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InChI

InChI 1.06InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13)

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InChIKey

InChI 1.06UWYBOEZQGCFECQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-cyclopropyl-2-hydroxybenzamide
OpenEye OEToolkits 2.0.7~{N}-cyclopropyl-2-oxidanyl-benzamide

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PDB entries

Showing all 2 items

PDB-7gqe:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57473948

PDB-7h54:
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 Z57473948 (A71EV2A-x1292)

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