Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EFZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
2 InChIKey InChI 1.03 XPOQHMRABVBWPR-ZDUSSCGKSA-N
3 SMILES ACDLabs 12.01 FC(F)(F)C3(C#CC1CC1)OC(=O)Nc2c3cc(Cl)cc2
4 SMILES CACTVS 3.370 FC(F)(F)[C]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3
5 SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1Cl)C(OC(=O)N2)(C#CC3CC3)C(F)(F)F
6 Canonical SMILES CACTVS 3.370 FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F