Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : Q5Z    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3
2 InChIKey InChI 1.03 WGZBSMWSGOJXPI-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4
4 SMILES OpenEye OEToolkits 2.0.7 Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4
5 Canonical SMILES CACTVS 3.385 COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4