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- ChemComp-3QT: 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]meth... -

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Basic information

EntryDatabase: PDB chemical components / ID: 3QT
NameName: 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline

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Chemical information

Composition
Formula: C20H16N6 / Number of atoms: 42 / Formula weight: 340.381 / Formal charge: 0
Others

3qti

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3QT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QTI
History
Create componentFeb 24, 2011
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01n1cc(n2nc(ccc12)c3cn(nc3)C)Cc5cc4cccnc4cc5
CACTVS 3.370Cn1cc(cn1)c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2
OpenEye OEToolkits 1.7.0Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5

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SMILES CANONICAL

CACTVS 3.370Cn1cc(cn1)c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2
OpenEye OEToolkits 1.7.0Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5

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InChI

InChI 1.03InChI=1S/C20H16N6/c1-25-13-16(11-23-25)19-6-7-20-22-12-17(26(20)24-19)10-14-4-5-18-15(9-14)3-2-8-21-18/h2-9,11-13H,10H2,1H3

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InChIKey

InChI 1.03RNCNPRCUHHDYPC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
OpenEye OEToolkits 1.7.06-[[6-(1-methylpyrazol-4-yl)imidazo[2,1-f]pyridazin-3-yl]methyl]quinoline

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PDB entries

Showing all 1 items

PDB-3qti:
c-Met Kinase in Complex with NVP-BVU972

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