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1IM

Summary
Name:2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Formula:C22 H15 F3 N2 O
Formal charge:0
Formula weight:380.363 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide
OpenEye OEToolkits2.0.72-[3-(2-pyridin-3-ylethynyl)phenyl]-~{N}-[3-(trifluoromethyl)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(ccc1)NC(=O)Cc1cccc(C#Cc2cccnc2)c1
InChIInChI1.03InChI=1S/C22H15F3N2O/c23-22(24,25)19-7-2-8-20(14-19)27-21(28)13-18-5-1-4-16(12-18)9-10-17-6-3-11-26-15-17/h1-8,11-12,14-15H,13H2,(H,27,28)
InChIKeyInChI1.03NGGVWQHQHPAORG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1cccc(NC(=O)Cc2cccc(c2)C#Cc3cccnc3)c1
SMILESCACTVS3.385FC(F)(F)c1cccc(NC(=O)Cc2cccc(c2)C#Cc3cccnc3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)C#Cc2cccnc2)CC(=O)Nc3cccc(c3)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)C#Cc2cccnc2)CC(=O)Nc3cccc(c3)C(F)(F)F

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PDB entries from 2024-07-10

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