Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZMI    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16)
2 InChIKey InChI 1.06 VNJQNKZHKFEHID-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1onc(c1)C(=O)NNc2ccccc2F
4 SMILES OpenEye OEToolkits 2.0.7 Cc1cc(no1)C(=O)NNc2ccccc2F
5 Canonical SMILES CACTVS 3.385 Cc1onc(c1)C(=O)NNc2ccccc2F
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(no1)C(=O)NNc2ccccc2F