Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FD8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H9F8NO2/c21-13-14(22)16(24)18(17(25)15(13)23)31-10-5-3-4-9(8-10)29-19(30)11-6-1-2-7-12(11)20(26,27)28/h1-8H,(H,29,30)
2 InChIKey InChI 1.03 ZTJJBXFGRJEBCQ-UHFFFAOYSA-N
3 SMILES CACTVS 3.352 Fc1c(F)c(F)c(Oc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F
4 SMILES OpenEye OEToolkits 1.7.0 c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F
5 Canonical SMILES CACTVS 3.352 Fc1c(F)c(F)c(Oc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F
6 Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F