Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : OVO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C16H14N2O/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
2 InChIKey InChI 1.06 FZDQKNHCMWUWBD-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Nc1occ(n1)c2ccc(Cc3ccccc3)cc2
4 SMILES OpenEye OEToolkits 3.1.0.0 c1ccc(cc1)Cc2ccc(cc2)c3coc(n3)N
5 Canonical SMILES CACTVS 3.385 Nc1occ(n1)c2ccc(Cc3ccccc3)cc2
6 Canonical SMILES OpenEye OEToolkits 3.1.0.0 c1ccc(cc1)Cc2ccc(cc2)c3coc(n3)N