Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 7M9    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C21H14N2O/c24-19-12-11-14-6-1-2-7-15(14)20(19)21-18-10-5-13-23(18)17-9-4-3-8-16(17)22-21/h1-13,24H
2 InChIKey InChI 1.03 IESKGGHNIDBTKX-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Oc1ccc2ccccc2c1c3nc4ccccc4n5cccc35
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O
5 Canonical SMILES CACTVS 3.385 Oc1ccc2ccccc2c1c3nc4ccccc4n5cccc35
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O