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7IS

Summary
Name:N-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
Formula:C18 H12 Cl F3 N4 O
Formal charge:0
Formula weight:392.762 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H12ClF3N4O/c19-15-8-9-16(26-25-15)23-13-4-6-14(7-5-13)24-17(27)11-2-1-3-12(10-11)18(20,21)22/h1-10H,(H,23,26)(H,24,27)
InChIKeyInChI1.03JJDWUVWXLMWVFS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2
SMILESCACTVS3.385FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccc(cc2)Nc3ccc(nn3)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccc(cc2)Nc3ccc(nn3)Cl

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건을2024-07-10부터공개중

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