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V67

Summary
Name:4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid
Formula:C15 H9 F2 N5 O3
Formal charge:0
Formula weight:345.26 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid
OpenEye OEToolkits2.0.74,5-bis(fluoranyl)-2-[(6-imidazol-1-ylpyridazin-3-yl)carbonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1(cncc1)c2nnc(cc2)C(Nc3c(cc(c(c3)F)F)C(O)=O)=O
InChIInChI1.03InChI=1S/C15H9F2N5O3/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h1-7H,(H,19,23)(H,24,25)
InChIKeyInChI1.03WEBVQIJGIZVRGA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(F)c(F)cc1NC(=O)c2ccc(nn2)n3ccnc3
SMILESCACTVS3.385OC(=O)c1cc(F)c(F)cc1NC(=O)c2ccc(nn2)n3ccnc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3
SMILESOpenEye OEToolkits2.0.7c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3

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PDB entries from 2024-07-17

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