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- ChemComp-EEI: 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]i... -

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Basic information

EntryDatabase: PDB chemical components / ID: EEI
NameName: 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

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Chemical information

Composition
Formula: C19H19N5S / Number of atoms: 44 / Formula weight: 349.453 / Formal charge: 0
Others

7qpm

Type: non-polymer / PDB classification: HETAIN / Three letter code: EEI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QPM
History
Create componentJan 5, 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(nc1SCc2cn3c(C)cc(C)nc3n2)c4ccccc4
OpenEye OEToolkits 2.0.7Cc1cc(n2cc(nc2n1)CSc3nc(cn3C)c4ccccc4)C

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SMILES CANONICAL

CACTVS 3.385Cn1cc(nc1SCc2cn3c(C)cc(C)nc3n2)c4ccccc4
OpenEye OEToolkits 2.0.7Cc1cc(n2cc(nc2n1)CSc3nc(cn3C)c4ccccc4)C

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InChI

InChI 1.06InChI=1S/C19H19N5S/c1-13-9-14(2)24-10-16(21-18(24)20-13)12-25-19-22-17(11-23(19)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3

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InChIKey

InChI 1.06PHRXKMLPVHCGBS-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

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

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