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A1D6R

Summary
Name:~{N}-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide
Synonyms:AMG-517
Formula:C20 H13 F3 N4 O2 S
Formal charge:0
Formula weight:430.403 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
InChIKeyInChI1.06YUTIXVXZQIQWGY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1sc2cccc(Oc3cc(ncn3)c4ccc(cc4)C(F)(F)F)c2n1
SMILESCACTVS3.385CC(=O)Nc1sc2cccc(Oc3cc(ncn3)c4ccc(cc4)C(F)(F)F)c2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1nc2c(cccc2s1)Oc3cc(ncn3)c4ccc(cc4)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1nc2c(cccc2s1)Oc3cc(ncn3)c4ccc(cc4)C(F)(F)F

248335

PDB entries from 2026-01-28

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