Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0ON    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
2 InChIKey InChI 1.03 NYQXIOZBHWFCBU-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(Nc1ccccc1)c2cccnc2
4 SMILES CACTVS 3.370 O=C(Nc1ccccc1)c2cccnc2
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NC(=O)c2cccnc2
6 Canonical SMILES CACTVS 3.370 O=C(Nc1ccccc1)c2cccnc2
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NC(=O)c2cccnc2