Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FWV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H18Cl2N4O3S/c21-16-4-2-5-17(19(16)22)24-20(27)25-9-11-26(12-10-25)30(28,29)18-6-1-3-14-13-23-8-7-15(14)18/h1-8,13H,9-12H2,(H,24,27)
2 InChIKey InChI 1.03 OPIJBEYHDBKGKX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 C(=O)(Nc1cccc(Cl)c1Cl)N2CCN(CC2)S(c4c3ccncc3ccc4)(=O)=O
4 SMILES CACTVS 3.385 Clc1cccc(NC(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34)c1Cl
5 SMILES OpenEye OEToolkits 2.0.6 c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl
6 Canonical SMILES CACTVS 3.385 Clc1cccc(NC(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34)c1Cl
7 Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl