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- ChemComp-9OX: 1,4-oxazepane -

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Basic information

EntryDatabase: PDB chemical components / ID: 9OX
NameName: 1,4-oxazepane

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Chemical information

Composition
Formula: C5H11NO / Number of atoms: 18 / Formula weight: 101.147 / Formal charge: 0
Others

7qad

Type: non-polymer / PDB classification: HETAIN / Three letter code: 9OX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QAD
History
Create componentNov 19, 2021
Modify descriptorAug 22, 2022
Initial releaseNov 30, 2022
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / 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

CACTVS 3.385C1CNCCOC1
OpenEye OEToolkits 2.0.7C1CNCCOC1

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SMILES CANONICAL

CACTVS 3.385C1CNCCOC1
OpenEye OEToolkits 2.0.7C1CNCCOC1

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InChI

InChI 1.06InChI=1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2

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InChIKey

InChI 1.06ZNGWEEUXTBNKFR-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7qad:
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1,4-Oxazepane hydrochloride

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