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SummaryGeometryRelated PDB entries

ZI7

Summary
Name:2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
Formula:C15 H8 F5 N3 O2 S
Formal charge:0
Formula weight:389.3 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H8F5N3O2S/c16-7-1-2-9(12(17)11(7)13(21)24)25-5-10-23-8-3-6(15(18,19)20)4-22-14(8)26-10/h1-4H,5H2,(H2,21,24)
InChIKeyInChI1.03ZVALMTAWSBJQSN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C(F)(F)F)c1F
SMILESCACTVS3.385NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C(F)(F)F)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F
SMILESOpenEye OEToolkits2.0.6c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F

224931

PDB entries from 2024-09-11

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