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SummaryGeometryRelated PDB entries

3K7

Summary
Name:6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
Formula:C15 H15 Cl N4 O2
Formal charge:0
Formula weight:318.758 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
OpenEye OEToolkits1.9.26-chloranyl-3-(3,4-dimethoxyphenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1nn2c(c(nc2c(c1)N)C)c3ccc(OC)c(OC)c3
InChIInChI1.03InChI=1S/C15H15ClN4O2/c1-8-14(9-4-5-11(21-2)12(6-9)22-3)20-15(18-8)10(17)7-13(16)19-20/h4-7H,17H2,1-3H3
InChIKeyInChI1.03QKMGMIGTYUUELE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1OC)c2n3nc(Cl)cc(N)c3nc2C
SMILESCACTVS3.385COc1ccc(cc1OC)c2n3nc(Cl)cc(N)c3nc2C
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC
SMILESOpenEye OEToolkits1.9.2Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC

222415

PDB entries from 2024-07-10

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