Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LFP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H11ClFN3O/c1-17-11(13)10(7-16-17)12(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)
2 InChIKey InChI 1.03 HYVAEYATDXVPMU-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2(c(c(C(NCc1ccc(cc1)F)=O)cn2)Cl)C
4 SMILES CACTVS 3.385 Cn1ncc(C(=O)NCc2ccc(F)cc2)c1Cl
5 SMILES OpenEye OEToolkits 2.0.6 Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl
6 Canonical SMILES CACTVS 3.385 Cn1ncc(C(=O)NCc2ccc(F)cc2)c1Cl
7 Canonical SMILES OpenEye OEToolkits 2.0.6 Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl