Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GZO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
2 InChIKey InChI 1.03 WXXSNCNJFUAIDG-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24
4 SMILES OpenEye OEToolkits 2.0.7 CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC
5 Canonical SMILES CACTVS 3.385 COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC