Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DJU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
2 InChIKey InChI 1.03 POTVAILTNPOQJH-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
4 SMILES OpenEye OEToolkits 2.0.7 CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3
5 Canonical SMILES CACTVS 3.385 CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3