Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NUQ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18)
2 InChIKey InChI 1.03 QXLXUFQMLZRGPI-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3
4 SMILES OpenEye OEToolkits 2.0.7 CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F
5 Canonical SMILES CACTVS 3.385 CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F