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MRK

Summary
Name:2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE
Formula:C14 H12 F N5 O S2
Formal charge:0
Formula weight:349.406 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-1,3-thiazol-2-ylbenzamide
OpenEye OEToolkits1.5.02-amino-4-fluoro-5-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c2cc(Sc1nccn1C)c(F)cc2N)Nc3nccs3
SMILES_CANONICALCACTVS3.341Cn1ccnc1Sc2cc(c(N)cc2F)C(=O)Nc3sccn3
SMILESCACTVS3.341Cn1ccnc1Sc2cc(c(N)cc2F)C(=O)Nc3sccn3
SMILES_CANONICALOpenEye OEToolkits1.5.0Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3
SMILESOpenEye OEToolkits1.5.0Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3
InChIInChI1.03InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)
InChIKeyInChI1.03YUCYMQBDBXVNCE-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

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