Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0OK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-10H
2 InChIKey InChI 1.03 WAIHFZPSLVDBRV-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C1c3ccccc3N=CN1c2ccccc2
4 SMILES CACTVS 3.370 O=C1N(C=Nc2ccccc12)c3ccccc3
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)N2C=Nc3ccccc3C2=O
6 Canonical SMILES CACTVS 3.370 O=C1N(C=Nc2ccccc12)c3ccccc3
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)N2C=Nc3ccccc3C2=O