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RQI

Summary
Name:2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid
Formula:C14 H11 F N4 O3 S
Formal charge:0
Formula weight:334.326 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid
OpenEye OEToolkits2.0.72-[2-[(6-fluoranyl-1~{H}-benzimidazol-5-yl)carbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc2[NH]cnc2cc1C(=O)NCCc1nc(cs1)C(=O)O
InChIInChI1.06InChI=1S/C14H11FN4O3S/c15-8-4-10-9(17-6-18-10)3-7(8)13(20)16-2-1-12-19-11(5-23-12)14(21)22/h3-6H,1-2H2,(H,16,20)(H,17,18)(H,21,22)
InChIKeyInChI1.06MWIHDBPJGZGAQB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1csc(CCNC(=O)c2cc3nc[nH]c3cc2F)n1
SMILESCACTVS3.385OC(=O)c1csc(CCNC(=O)c2cc3nc[nH]c3cc2F)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(c(cc2c1nc[nH]2)F)C(=O)NCCc3nc(cs3)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1c(c(cc2c1nc[nH]2)F)C(=O)NCCc3nc(cs3)C(=O)O

223532

数据于2024-08-07公开中

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