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- ChemComp-FQK: 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyri... -

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Basic information

EntryDatabase: PDB chemical components / ID: FQK
NameName: 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one

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Chemical information

Composition
Formula: C20H24N6O / Number of atoms: 51 / Formula weight: 364.444 / Formal charge: 0
Others

6h51

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FQK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H51
History
Create componentJul 23, 2018
Other modificationJun 3, 2019
Initial releaseJun 12, 2019
External linksUniChem / ChemSpider / BindingDB / ChEMBL / 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 3.385O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)CC5CCC5
OpenEye OEToolkits 2.0.6c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5

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SMILES CANONICAL

CACTVS 3.385O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)CC5CCC5
OpenEye OEToolkits 2.0.6c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5

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InChI

InChI 1.03InChI=1S/C20H24N6O/c27-20-17-4-7-21-19(18(17)22-13-23-20)26-12-16(10-24-26)15-5-8-25(9-6-15)11-14-2-1-3-14/h4,7,10,12-15H,1-3,5-6,8-9,11H2,(H,22,23,27)

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InChIKey

InChI 1.03FQYVJQRHNLIPIK-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6h51:
Crystal structure of human KDM5B in complex with compound 34f

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