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- ChemComp-9IZ: 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyr... -

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Basic information

EntryDatabase: PDB chemical components / ID: 9IZ
NameName: 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine

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Chemical information

Composition
Formula: C23H21N5 / Number of atoms: 49 / Formula weight: 367.446 / Formal charge: 0
Others

7wlf

Type: non-polymer / PDB classification: HETAIN / Three letter code: 9IZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7WLF
History
Create componentJan 18, 2022
Initial releaseJan 18, 2023
External linksUniChem / ChemSpider / Nikkaji / 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 3.385C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4
OpenEye OEToolkits 2.0.7c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4

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SMILES CANONICAL

CACTVS 3.385C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4
OpenEye OEToolkits 2.0.7c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4

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InChI

InChI 1.03InChI=1S/C23H21N5/c1-4-13-24-19(8-1)16-28(17-20-9-2-5-14-25-20)18-21-10-7-12-23(27-21)22-11-3-6-15-26-22/h1-15H,16-18H2

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InChIKey

InChI 1.03IAYCCYKQDTVUPA-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7wlf:
Crystal structure of the HSA Fe complex

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