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- ChemComp-4GY: 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide -

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Basic information

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

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Chemical information

Composition
Formula: C10H16N4O2 / Number of atoms: 32 / Formula weight: 224.26 / Formal charge: 0
Others

4yqg

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4GY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YQG
History
Create componentMar 18, 2015
Initial releaseMar 16, 2016
External linksUniChem / ChemSpider / BindingDB / PubChem / 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 12.01Nc1nonc1C(=O)NCC2CCCCC2
CACTVS 3.385Nc1nonc1C(=O)NCC2CCCCC2
OpenEye OEToolkits 1.9.2C1CCC(CC1)CNC(=O)c2c(non2)N

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SMILES CANONICAL

CACTVS 3.385Nc1nonc1C(=O)NCC2CCCCC2
OpenEye OEToolkits 1.9.2C1CCC(CC1)CNC(=O)c2c(non2)N

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InChI

InChI 1.03InChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15)

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InChIKey

InChI 1.03LMUMGZXENBDFGR-UHFFFAOYSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 1 items

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

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