Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GQM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)
2 InChIKey InChI 1.03 KCSNRNYLTIFFOZ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1ccc(c(O)c1)c2cc[nH]n2
4 SMILES OpenEye OEToolkits 2.0.6 COc1ccc(c(c1)O)c2cc[nH]n2
5 Canonical SMILES CACTVS 3.385 COc1ccc(c(O)c1)c2cc[nH]n2
6 Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccc(c(c1)O)c2cc[nH]n2