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- ChemComp-GIQ: 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: GIQ
NameName: 3-methyl-3H-imidazo[4,5-F]quinolin-2-amine / Synonyms: 2-AMINO-3-METHYLIMIDAZO[4,5-F]QUINOLINE

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Chemical information

Composition
Formula: C11H10N4 / Number of atoms: 25 / Formula weight: 198.224 / Formal charge: 0
Others

2hkc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GIQ / Model coordinates PDB-ID: 2HKC
History
Create componentJul 13, 2006
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 10.04n2cccc3c1nc(n(c1ccc23)C)N
CACTVS 3.341Cn1c(N)nc2c1ccc3ncccc23
OpenEye OEToolkits 1.5.0Cn1c2ccc3c(c2nc1N)cccn3

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SMILES CANONICAL

CACTVS 3.341Cn1c(N)nc2c1ccc3ncccc23
OpenEye OEToolkits 1.5.0Cn1c2ccc3c(c2nc1N)cccn3

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InChI

InChI 1.03InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)

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InChIKey

InChI 1.03ARZWATDYIYAUTA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-methyl-3H-imidazo[4,5-f]quinolin-2-amine
OpenEye OEToolkits 1.5.03-methylpyrido[3,2-e]benzimidazol-2-amine

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PDB entries

Showing all 4 items

PDB-2hkc:
NMR Structure of the IQ-modified Dodecamer CTCGGC[IQ]GCCATC

PDB-2z2g:
NMR Structure of the IQ-modified Dodecamer CTC[IQ]GGCGCCATC

PDB-2z2h:
NMR Structure of the IQ-modified Dodecamer CTCG[IQ]GCGCCATC

PDB-5sg2:
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(N)n(c3c1c2c(nccc2)cc3)C, micromolar IC50=32.68161

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