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- ChemComp-EQ9: 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)p... -

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Basic information

EntryDatabase: PDB chemical components / ID: EQ9
NameName: 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one

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Chemical information

Composition
Formula: C22H26N6O3 / Number of atoms: 57 / Formula weight: 422.48 / Formal charge: 0
Others

6lqd

Type: non-polymer / PDB classification: HETAIN / Three letter code: EQ9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LQD
History
Create componentJan 20, 2020
Initial releaseMar 11, 2020
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 3.385Cc1onc(n1)c2ccc(OCCCCCN3CCN(C3=O)c4ccnc(N)c4)cc2
OpenEye OEToolkits 2.0.7Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N

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SMILES CANONICAL

CACTVS 3.385Cc1onc(n1)c2ccc(OCCCCCN3CCN(C3=O)c4ccnc(N)c4)cc2
OpenEye OEToolkits 2.0.7Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N

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InChI

InChI 1.03InChI=1S/C22H26N6O3/c1-16-25-21(26-31-16)17-5-7-19(8-6-17)30-14-4-2-3-11-27-12-13-28(22(27)29)18-9-10-24-20(23)15-18/h5-10,15H,2-4,11-14H2,1H3,(H2,23,24)

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InChIKey

InChI 1.03HBOHAJJGWJLRSS-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6lqd:
Structure of Enterovirus 71 in complex with NLD-22

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