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- ChemComp-5TY: 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one -

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Basic information

EntryDatabase: PDB chemical components / ID: 5TY
NameName: 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one

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Chemical information

Composition
Formula: C10H12N4O / Number of atoms: 27 / Formula weight: 204.228 / Formal charge: 0
Others

5f2p

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5TY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F2P
History
Create componentDec 2, 2015
Initial releaseMar 9, 2016
External linksUniChem / ChemSpider / BindingDB / 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 3.385CN(C)c1ncc2C(=O)N(C)C=Cc2n1
OpenEye OEToolkits 2.0.4CN1C=Cc2c(cnc(n2)N(C)C)C1=O

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SMILES CANONICAL

CACTVS 3.385CN(C)c1ncc2C(=O)N(C)C=Cc2n1
OpenEye OEToolkits 2.0.4CN1C=Cc2c(cnc(n2)N(C)C)C1=O

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InChI

InChI 1.03InChI=1S/C10H12N4O/c1-13(2)10-11-6-7-8(12-10)4-5-14(3)9(7)15/h4-6H,1-3H3

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InChIKey

InChI 1.03YKBGUFTWJZHVCT-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.42-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one

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PDB entries

Showing all 1 items

PDB-5f2p:
Crystal structure of the BRD9 bromodomain in complex with compound 3.

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