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9PC

Summary
Name:3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
Synonyms:PC190723
Formula:C14 H8 Cl F2 N3 O2 S
Formal charge:0
Formula weight:355.747 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
OpenEye OEToolkits1.7.63-[(6-chloranyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N
InChIInChI1.03InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
InChIKeyInChI1.03INYJNSBDHOVLAH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370NC(=O)c1c(F)ccc(OCc2sc3ncc(Cl)cc3n2)c1F
SMILESCACTVS3.370NC(=O)c1c(F)ccc(OCc2sc3ncc(Cl)cc3n2)c1F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F
SMILESOpenEye OEToolkits1.7.6c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F

225158

PDB entries from 2024-09-18

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