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- ChemComp-5V7: 8-(2-azanyl-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: 5V7
NameName: 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one

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Chemical information

Composition
Formula: C10H7N5OS / Number of atoms: 24 / Formula weight: 245.26 / Formal charge: 0
Others

5f32

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5V7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F32
History
Create componentDec 7, 2015
Initial releaseJan 20, 2016
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / 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 3.385Nc1scc(n1)c2nccc3C(=O)NC=Nc23
OpenEye OEToolkits 2.0.4c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N

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SMILES CANONICAL

CACTVS 3.385Nc1scc(n1)c2nccc3C(=O)NC=Nc23
OpenEye OEToolkits 2.0.4c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N

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InChI

InChI 1.03InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)

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InChIKey

InChI 1.03JEHSMTZNFSEDBY-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.48-(2-azanyl-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-5f32:
Crystal structure of human KDM4A in complex with compound 40

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