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- ChemComp-HR0: 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbon... -

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Basic information

EntryDatabase: PDB chemical components / ID: HR0
NameName: 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile

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Chemical information

Composition
Formula: C11H7N5O / Number of atoms: 24 / Formula weight: 225.206 / Formal charge: 0
Others

7dyq

Type: non-polymer / PDB classification: HETAIN / Three letter code: HR0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7DYQ
History
Create componentJan 28, 2021
Initial releaseJan 26, 2022
External linksUniChem / ChemSpider / BindingDB / ChemicalBook / 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 3.385Cc1nn2c3ncccc3c(O)nc2c1C#N
OpenEye OEToolkits 2.0.7Cc1c(c2nc(c3cccnc3n2n1)O)C#N

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SMILES CANONICAL

CACTVS 3.385Cc1nn2c3ncccc3c(O)nc2c1C#N
OpenEye OEToolkits 2.0.7Cc1c(c2nc(c3cccnc3n2n1)O)C#N

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InChI

InChI 1.03InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)

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InChIKey

InChI 1.03FIRSAIIBSBCBTF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7dyq:
Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile

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