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- ChemComp-GX7: 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: GX7
NameName: 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione

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Chemical information

Composition
Formula: C10H15N3O2 / Number of atoms: 30 / Formula weight: 209.245 / Formal charge: 0
Others

5qib

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GX7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QIB
History
Create componentJun 1, 2018
Other modificationJul 9, 2018
Initial releaseJul 18, 2018
External linksUniChem / ChemSpider / CompTox / Nikkaji / 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 12.01N1C=C(C(NC1=O)=O)NC2CCCCC2
CACTVS 3.385O=C1NC=C(NC2CCCCC2)C(=O)N1
OpenEye OEToolkits 2.0.6C1CCC(CC1)NC2=CNC(=O)NC2=O

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SMILES CANONICAL

CACTVS 3.385O=C1NC=C(NC2CCCCC2)C(=O)N1
OpenEye OEToolkits 2.0.6C1CCC(CC1)NC2=CNC(=O)NC2=O

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InChI

InChI 1.03InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)

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InChIKey

InChI 1.03WHMIGQGVTIZZPV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 2.0.65-(cyclohexylamino)-1~{H}-pyrimidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-5qib:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with FMOPL000388a

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