Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NVK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
2 InChIKey InChI 1.03 AKMNUCBQGHFICM-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1
4 SMILES OpenEye OEToolkits 2.0.7 Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4
5 Canonical SMILES CACTVS 3.385 Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4