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- ChemComp-NPM: N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLE... -

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Basic information

EntryDatabase: PDB chemical components / ID: NPM
NameName: N-[(1E)-pyridin-2-ylmethylene]-N-[4-(4-{[(1E)-pyridin-2-ylmethylene]amino}benzyl)phenyl]amine
Synonyms: 1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE

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Chemical information

Composition
Formula: C25H20N4 / Number of atoms: 49 / Formula weight: 376.453 / Formal charge: 0
Others

2et0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NPM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ET0
History
Create componentNov 30, 2005
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04N(/c1ccc(cc1)Cc3ccc(/N=C/c2ncccc2)cc3)=C\c4ncccc4
CACTVS 3.341C(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4
OpenEye OEToolkits 1.5.0c1ccnc(c1)C=Nc2ccc(cc2)Cc3ccc(cc3)N=Cc4ccccn4

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SMILES CANONICAL

CACTVS 3.341C(c1ccc(cc1)N=Cc2ccccn2)c3ccc(cc3)N=Cc4ccccn4
OpenEye OEToolkits 1.5.0c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4

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InChI

InChI 1.03InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2/b28-18+,29-19+

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InChIKey

InChI 1.03OMZVNZJNZUGOJK-UOSOPFLXSA-N

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SYSTEMATIC NAME

ACDLabs 10.044,4'-methanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}
OpenEye OEToolkits 1.5.01-pyridin-2-yl-N-[4-[[4-(pyridin-2-ylmethylideneamino)phenyl]methyl]phenyl]methanimine

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PDB entries

Showing all 3 items

PDB-2et0:
The structure of a three-way DNA junction in complex with a metallo-supramolecular helicate reveals a new target for drugs

PDB-3i1d:
Distinct recognition of three-way DNA junctions by the two enantiomers of a metallo-supramolecular cylinder ('helicate')

PDB-4jiy:
RNA three-way junction stabilized by a supramolecular di-iron(II) cylinder drug

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