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- ChemComp-6NX: 1-CYCLOHEXYL-3-METHYL-UREA -

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Basic information

EntryDatabase: PDB chemical components / ID: 6NX
NameName: 1-cyclohexyl-3-methyl-urea

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Chemical information

Composition
Formula: C8H16N2O / Number of atoms: 27 / Formula weight: 156.225 / Formal charge: 0
Others

5akz

Type: non-polymer / PDB classification: HETAIN / Three letter code: 6NX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AKZ
History
Create componentMar 5, 2015
Initial releaseMay 13, 2015
External linksUniChem / ChemSpider / 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 3.385CNC(=O)NC1CCCCC1
OpenEye OEToolkits 1.7.6CNC(=O)NC1CCCCC1

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SMILES CANONICAL

CACTVS 3.385CNC(=O)NC1CCCCC1
OpenEye OEToolkits 1.7.6CNC(=O)NC1CCCCC1

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InChI

InChI 1.03InChI=1S/C8H16N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)

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InChIKey

InChI 1.03YKLDLMXTBHWMPV-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.61-cyclohexyl-3-methyl-urea

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PDB entries

Showing all 1 items

PDB-5akz:
ligand complex structure of soluble epoxide hydrolase

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