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- ChemComp-NXM: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine -

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Basic information

EntryDatabase: PDB chemical components / ID: NXM
NameName: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

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Chemical information

Composition
Formula: C11H17N3O / Number of atoms: 32 / Formula weight: 207.272 / Formal charge: 0
Others

5qrp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NXM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QRP
History
Create componentMay 29, 2019
Initial releaseJul 10, 2019
External linksUniChem / ChemSpider / PubChem / 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 12.01n2c(CC1CCNCC1)onc2C3CC3
CACTVS 3.385C1CC(CCN1)Cc2onc(n2)C3CC3
OpenEye OEToolkits 2.0.6C1CC1c2nc(on2)CC3CCNCC3

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SMILES CANONICAL

CACTVS 3.385C1CC(CCN1)Cc2onc(n2)C3CC3
OpenEye OEToolkits 2.0.6C1CC1c2nc(on2)CC3CCNCC3

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InChI

InChI 1.03InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(15-14-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2

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InChIKey

InChI 1.03UMIHXIWIKFHJRW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
OpenEye OEToolkits 2.0.63-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

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PDB entries

Showing all 1 items

PDB-5qrp:
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2442270563

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