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ID5

Summary
Name:[5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
Synonyms:IDD552
Formula:C17 H10 F4 N2 O4 S
Formal charge:0
Formula weight:414.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid
OpenEye OEToolkits1.5.02-[5-fluoro-2-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methylcarbamoyl]phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2
SMILES_CANONICALCACTVS3.341OC(=O)COc1cc(F)ccc1C(=O)NCc2sc3c(F)cc(F)c(F)c3n2
SMILESCACTVS3.341OC(=O)COc1cc(F)ccc1C(=O)NCc2sc3c(F)cc(F)c(F)c3n2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F
InChIInChI1.03InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25)
InChIKeyInChI1.03ZCAGEXZTORJQDZ-UHFFFAOYSA-N

226262

PDB entries from 2024-10-16

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