Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : E0K    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H18N2O3/c1-9-16(10(2)22-19-9)12-5-6-13-14(8-12)21-15(17(20)18-13)7-11-3-4-11/h5-6,8,11,15H,3-4,7H2,1-2H3,(H,18,20)/t15-/m1/s1
2 InChIKey InChI 1.03 CMSYOXFBNZPEJB-OAHLLOKOSA-N
3 SMILES CACTVS 3.385 Cc1onc(C)c1c2ccc3NC(=O)[CH](CC4CC4)Oc3c2
4 SMILES OpenEye OEToolkits 2.0.6 Cc1c(c(on1)C)c2ccc3c(c2)OC(C(=O)N3)CC4CC4
5 Canonical SMILES CACTVS 3.385 Cc1onc(C)c1c2ccc3NC(=O)[C@@H](CC4CC4)Oc3c2
6 Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1c(c(on1)C)c2ccc3c(c2)O[C@@H](C(=O)N3)CC4CC4