Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 7ZM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H13N5O2/c16-13-7-6-10(8-17-13)19-14(21)12-9-18-20(15(12)22)11-4-2-1-3-5-11/h1-9,22H,(H2,16,17)(H,19,21)
2 InChIKey InChI 1.03 XRMPIZHDSBHDCD-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O
5 Canonical SMILES CACTVS 3.385 Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O