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- ChemComp-QI6: pyrazolo[5,1-a]phthalazin-6-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: QI6
NameName: pyrazolo[5,1-a]phthalazin-6-amine

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Chemical information

Composition
Formula: C10H8N4 / Number of atoms: 22 / Formula weight: 184.197 / Formal charge: 0
Others

8bfm

Type: non-polymer / PDB classification: HETAIN / Three letter code: QI6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BFM
History
Create componentOct 31, 2022
Initial releaseNov 23, 2022
Modify formulaMay 15, 2023
External linksUniChem / ChemSpider / PubChem / 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 3.385Nc1nn2nccc2c3ccccc13
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3ccnn3nc2N

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SMILES CANONICAL

CACTVS 3.385Nc1nn2nccc2c3ccccc13
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3ccnn3nc2N

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InChI

InChI 1.06InChI=1S/C10H8N4/c11-10-8-4-2-1-3-7(8)9-5-6-12-14(9)13-10/h1-6H,(H2,11,13)

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InChIKey

InChI 1.06VOLKDTKFDOIYJN-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8bfm:
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331

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