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3MI

Summary
Name:2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
Synonyms:Tafamidis
Formula:C14 H7 Cl2 N O3
Formal charge:0
Formula weight:308.116 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
OpenEye OEToolkits1.7.02-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
SMILES_CANONICALCACTVS3.370OC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
SMILESCACTVS3.370OC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl
SMILESOpenEye OEToolkits1.7.0c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl
InChIInChI1.03InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
InChIKeyInChI1.03TXEIIPDJKFWEEC-UHFFFAOYSA-N

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PDB entries from 2024-04-24

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