Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GQF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C19H26N4OS/c1-12-16(13(2)24)17(14-5-3-4-6-14)18(21-12)15-11-25-19(22-15)23-9-7-20-8-10-23/h11,14,20-21H,3-10H2,1-2H3
2 InChIKey InChI 1.06 HIQSGTMYVPXYRT-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4
4 SMILES OpenEye OEToolkits 2.0.7 Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)C4CCCC4)C(=O)C
5 Canonical SMILES CACTVS 3.385 CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)C4CCCC4)C(=O)C