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- ChemComp-5UB: 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one -

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Basic information

EntryDatabase: PDB chemical components / ID: 5UB
NameName: 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one

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Chemical information

Composition
Formula: C10H6N4OS / Number of atoms: 22 / Formula weight: 230.246 / Formal charge: 0
Others

5f39

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5UB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F39
History
Create componentDec 2, 2015
Initial releaseJan 20, 2016
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / 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

CACTVS 3.385O=C1NC=Nc2c1ccnc2c3cscn3
OpenEye OEToolkits 2.0.4c1cnc(c2c1C(=O)NC=N2)c3cscn3

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SMILES CANONICAL

CACTVS 3.385O=C1NC=Nc2c1ccnc2c3cscn3
OpenEye OEToolkits 2.0.4c1cnc(c2c1C(=O)NC=N2)c3cscn3

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InChI

InChI 1.03InChI=1S/C10H6N4OS/c15-10-6-1-2-11-9(7-3-16-5-14-7)8(6)12-4-13-10/h1-5H,(H,12,13,15)

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InChIKey

InChI 1.03OBJLYJZXQQXIFV-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.48-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one

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PDB entries

Showing all 1 items

PDB-5f39:
Crystal structure of human KDM4A in complex with compound 37

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