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- ChemComp-EIH: 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazo... -

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Basic information

EntryDatabase: PDB chemical components / ID: EIH
NameName: 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

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Chemical information

Composition
Formula: C17H15N5S / Number of atoms: 38 / Formula weight: 321.4 / Formal charge: 0
Others

7qpq

Type: non-polymer / PDB classification: HETAIN / Three letter code: EIH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QPQ
History
Create componentJan 6, 2022
Modify descriptorAug 22, 2022
Initial releaseApr 19, 2023
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

CACTVS 3.385Cn1cc(nc1CSc2nn3ccccc3n2)c4ccccc4
OpenEye OEToolkits 2.0.7Cn1cc(nc1CSc2nc3ccccn3n2)c4ccccc4

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SMILES CANONICAL

CACTVS 3.385Cn1cc(nc1CSc2nn3ccccc3n2)c4ccccc4
OpenEye OEToolkits 2.0.7Cn1cc(nc1CSc2nc3ccccn3n2)c4ccccc4

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InChI

InChI 1.06InChI=1S/C17H15N5S/c1-21-11-14(13-7-3-2-4-8-13)18-16(21)12-23-17-19-15-9-5-6-10-22(15)20-17/h2-11H,12H2,1H3

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InChIKey

InChI 1.06TTYKNXUXXPKQBV-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7qpq:
Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate

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