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- ChemComp-J6E: ~{N}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl... -

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Basic information

EntryDatabase: PDB chemical components / ID: J6E
NameName: ~{N}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide

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Chemical information

Composition
Formula: C21H23FN6O2 / Number of atoms: 53 / Formula weight: 410.445 / Formal charge: 0
Others

6qm7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J6E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QM7
History
Create componentFeb 1, 2019
Initial releaseApr 17, 2019
External linksUniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / 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 3.385Fc1ccc(NC(=O)N2CCCC2)cc1c3ccn4c(cnc4n3)N5CCOCC5
OpenEye OEToolkits 2.0.7c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F

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SMILES CANONICAL

CACTVS 3.385Fc1ccc(NC(=O)N2CCCC2)cc1c3ccn4c(cnc4n3)N5CCOCC5
OpenEye OEToolkits 2.0.7c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F

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InChI

InChI 1.03InChI=1S/C21H23FN6O2/c22-17-4-3-15(24-21(29)27-6-1-2-7-27)13-16(17)18-5-8-28-19(14-23-20(28)25-18)26-9-11-30-12-10-26/h3-5,8,13-14H,1-2,6-7,9-12H2,(H,24,29)

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InChIKey

InChI 1.03SAJUCKZZYFFICP-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6qm7:
Leishmania tarentolae proteasome 20S subunit complexed with GSK3494245

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