Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : WRY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16)
2 InChIKey InChI 1.03 XTBYDIXZNAOPDG-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 N(C)C(=O)c2cc1ccc(F)cc1nc2C
4 SMILES CACTVS 3.385 CNC(=O)c1cc2ccc(F)cc2nc1C
5 SMILES OpenEye OEToolkits 2.0.7 Cc1c(cc2ccc(cc2n1)F)C(=O)NC
6 Canonical SMILES CACTVS 3.385 CNC(=O)c1cc2ccc(F)cc2nc1C
7 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(cc2ccc(cc2n1)F)C(=O)NC