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- ChemComp-11G: (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one -

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Basic information

EntryDatabase: PDB chemical components / ID: 11G
NameName: (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one

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Chemical information

Composition
Formula: C14H20N4O / Number of atoms: 39 / Formula weight: 260.335 / Formal charge: 0
Others

4i6b

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 11G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4I6B
History
Create componentDec 3, 2012
Initial releaseNov 20, 2013
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 12.01O=C1N(c3cncnc3N(C1CC)C2CCCC2)C
CACTVS 3.370CC[CH]1N(C2CCCC2)c3ncncc3N(C)C1=O
OpenEye OEToolkits 1.7.6CCC1C(=O)N(c2cncnc2N1C3CCCC3)C

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SMILES CANONICAL

CACTVS 3.370CC[C@H]1N(C2CCCC2)c3ncncc3N(C)C1=O
OpenEye OEToolkits 1.7.6CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C

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InChI

InChI 1.03InChI=1S/C14H20N4O/c1-3-11-14(19)17(2)12-8-15-9-16-13(12)18(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3/t11-/m1/s1

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InChIKey

InChI 1.03WQXIWGBBMQMEGH-LLVKDONJSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
OpenEye OEToolkits 1.7.6(7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one

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PDB entries

Showing all 1 items

PDB-4i6b:
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain

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