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SummaryGeometryRelated PDB entries

3QT

Summary
Name:6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
Formula:C20 H16 N6
Formal charge:0
Formula weight:340.381 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
OpenEye OEToolkits1.7.06-[[6-(1-methylpyrazol-4-yl)imidazo[2,1-f]pyridazin-3-yl]methyl]quinoline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1cc(n2nc(ccc12)c3cn(nc3)C)Cc5cc4cccnc4cc5
SMILES_CANONICALCACTVS3.370Cn1cc(cn1)c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2
SMILESCACTVS3.370Cn1cc(cn1)c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2
SMILES_CANONICALOpenEye OEToolkits1.7.0Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5
SMILESOpenEye OEToolkits1.7.0Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5
InChIInChI1.03InChI=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
InChIKeyInChI1.03RNCNPRCUHHDYPC-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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