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- ChemComp-4GS: 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 4GS
NameName: 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide

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Chemical information

Composition
Formula: C8H13N5O2 / Number of atoms: 28 / Formula weight: 211.221 / Formal charge: 0
Others

4yqk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4GS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YQK
History
Create componentMar 18, 2015
Initial releaseMar 16, 2016
External linksUniChem / ChemSpider / BindingDB / 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 12.01c1(c(non1)N)C(=O)NC2CCNCC2
CACTVS 3.385Nc1nonc1C(=O)NC2CCNCC2
OpenEye OEToolkits 1.9.2C1CNCCC1NC(=O)c2c(non2)N

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SMILES CANONICAL

CACTVS 3.385Nc1nonc1C(=O)NC2CCNCC2
OpenEye OEToolkits 1.9.2C1CNCCC1NC(=O)c2c(non2)N

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InChI

InChI 1.03InChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14)

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InChIKey

InChI 1.03LGMVLTCRFMCVHB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
OpenEye OEToolkits 1.9.24-azanyl-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide

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PDB entries

Showing all 1 items

PDB-4yqk:
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds

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