Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FBX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
2 InChIKey InChI 1.03 PCOBBVZJEWWZFR-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
4 SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F
5 Canonical SMILES CACTVS 3.385 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F