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SummaryGeometryRelated PDB entries

7GL

Summary
Name:6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Formula:C16 H18 N6 O
Formal charge:0
Formula weight:310.354 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
OpenEye OEToolkits2.0.66-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(cc(C)cc1C)Nc2nn3c(c(c2)NC)ncc3C(=O)N
InChIInChI1.03InChI=1S/C16H18N6O/c1-9-4-10(2)6-11(5-9)20-14-7-12(18-3)16-19-8-13(15(17)23)22(16)21-14/h4-8,18H,1-3H3,(H2,17,23)(H,20,21)
InChIKeyInChI1.03SNVFFECYFQEWTL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNc1cc(Nc2cc(C)cc(C)c2)nn3c(cnc13)C(N)=O
SMILESCACTVS3.385CNc1cc(Nc2cc(C)cc(C)c2)nn3c(cnc13)C(N)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C
SMILESOpenEye OEToolkits2.0.6Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C

223532

PDB entries from 2024-08-07

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