Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 9GL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
2 InChIKey InChI 1.03 AHFZDNYNXFMRFQ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 CCc1c(nc2ccc(cc12)Cl)C(NCCc3ccc(cc3)N4CCCCC4)=O
4 SMILES CACTVS 3.385 CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc3ccc(cc3)N4CCCCC4
5 SMILES OpenEye OEToolkits 2.0.6 CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl
6 Canonical SMILES CACTVS 3.385 CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc3ccc(cc3)N4CCCCC4
7 Canonical SMILES OpenEye OEToolkits 2.0.6 CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl