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- ChemComp-KQZ: ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-... -

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Basic information

EntryDatabase: PDB chemical components / ID: KQZ
NameName: ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

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Chemical information

Composition
Formula: C13H13N5 / Number of atoms: 31 / Formula weight: 239.276 / Formal charge: 0
Others

6s1h

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KQZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6S1H
History
Create componentJun 18, 2019
Initial releaseJun 26, 2019
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 3.385CN(C)c1nccc(n1)c2c[nH]c3ncccc23
OpenEye OEToolkits 2.0.7CN(C)c1nccc(n1)c2c[nH]c3c2cccn3

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SMILES CANONICAL

CACTVS 3.385CN(C)c1nccc(n1)c2c[nH]c3ncccc23
OpenEye OEToolkits 2.0.7CN(C)c1nccc(n1)c2c[nH]c3c2cccn3

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InChI

InChI 1.03InChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16)

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InChIKey

InChI 1.03JQRPUUYNOCHMQZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6s1h:
Crystal Structure of DYRK1A with small molecule inhibitor

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