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SummaryGeometryRelated PDB entries

ID9

Summary
Name:(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
Formula:C19 H19 N5 O
Formal charge:0
Formula weight:333.387 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
OpenEye OEToolkits2.0.72,3-dimethyl-6-[(1-methyl-4-phenyl-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1
InChIInChI1.03InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyInChI1.03QXYBYVXOVCAYLM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(nc1COc2ccc3nc(C)c(C)n3n2)c4ccccc4
SMILESCACTVS3.385Cn1cc(nc1COc2ccc3nc(C)c(C)n3n2)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(n2c(n1)ccc(n2)OCc3nc(cn3C)c4ccccc4)C
SMILESOpenEye OEToolkits2.0.7Cc1c(n2c(n1)ccc(n2)OCc3nc(cn3C)c4ccccc4)C

221051

PDB entries from 2024-06-12

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