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OIT

Summary
Name:~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
Synonyms:Tafamidis derivative
Formula:C20 H21 Cl2 N3 O2
Formal charge:0
Formula weight:406.306 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.0~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H21Cl2N3O2/c21-15-9-14(10-16(22)12-15)20-25-17-6-5-13(11-18(17)27-20)19(26)24-8-4-2-1-3-7-23/h5-6,9-12H,1-4,7-8,23H2,(H,24,26)
InChIKeyInChI1.06VYSGGLIOFYGQHG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
SMILESCACTVS3.385NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1C(=O)NCCCCCCN)oc(n2)c3cc(cc(c3)Cl)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1C(=O)NCCCCCCN)oc(n2)c3cc(cc(c3)Cl)Cl

222415

PDB entries from 2024-07-10

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