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- ChemComp-HA6: 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one -

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Basic information

EntryDatabase: PDB chemical components / ID: HA6
NameName: 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one

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Chemical information

Composition
Formula: C10H7N5O2 / Number of atoms: 24 / Formula weight: 229.195 / Formal charge: 0
Others

5fpb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HA6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FPB
History
Create componentNov 30, 2015
Initial releaseJan 27, 2016
External linksUniChem / ChemSpider / 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 3.385O=C1NC(=Nc2cnccc12)Oc3c[nH]nc3
OpenEye OEToolkits 1.7.6c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3

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SMILES CANONICAL

CACTVS 3.385O=C1NC(=Nc2cnccc12)Oc3c[nH]nc3
OpenEye OEToolkits 1.7.6c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3

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InChI

InChI 1.03InChI=1S/C10H7N5O2/c16-9-7-1-2-11-5-8(7)14-10(15-9)17-6-3-12-13-4-6/h1-5H,(H,12,13)(H,14,15,16)

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InChIKey

InChI 1.03MOMKPBKMLHPDGF-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.62-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one

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PDB entries

Showing all 1 items

PDB-5fpb:
Crystal structure of human KDM4D in complex with 2-1H-pyrazol-4-yloxy- 3H,4H-pyrido-3,4-d-pyrimidin-4-one

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