Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : F4G    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18)
2 InChIKey InChI 1.03 WEFADYMRJJMXCA-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3
4 SMILES CACTVS 3.385 NC(=O)c1cccn2c(cnc12)c3cccnc3
5 SMILES OpenEye OEToolkits 2.0.6 c1cc(cnc1)c2cnc3n2cccc3C(=O)N
6 Canonical SMILES CACTVS 3.385 NC(=O)c1cccn2c(cnc12)c3cccnc3
7 Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cnc1)c2cnc3n2cccc3C(=O)N