Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : 9ZF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)/t8-,9+,10-,11+,16-
2 InChIKey InChI 1.03 FRRHMLGKNPFRKT-QBQNSPBZSA-N
3 SMILES ACDLabs 12.01 C3(NC(Nc1c(F)c(c(F)cc1)F)=O)C2CC4CC(C2)CC3C4
4 SMILES CACTVS 3.385 Fc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1F
5 SMILES OpenEye OEToolkits 2.0.6 c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F
6 Canonical SMILES CACTVS 3.385 Fc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1F
7 Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F