Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : JY6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-
2 InChIKey InChI 1.06 CRDNMYFJWFXOCH-YPKPFQOOSA-N
3 SMILES CACTVS 3.385 O=C1Nc2ccccc2C1=C3Nc4ccccc4C3=O
4 SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C(=C3C(=O)c4ccccc4N3)C(=O)N2
5 Canonical SMILES CACTVS 3.385 O=C1Nc2ccccc2\C1=C/3Nc4ccccc4C/3=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)/C(=C/3\C(=O)c4ccccc4N3)/C(=O)N2