Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : G9L    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H24FN3O2/c21-14-4-5-15-16(12-14)20(26)22-18-6-11-24(13-17(15)18)19(25)7-10-23-8-2-1-3-9-23/h4-5,12H,1-3,6-11,13H2,(H,22,26)
2 InChIKey InChI 1.03 CTOQXIXQHAILCA-UHFFFAOYSA-N
3 SMILES CACTVS 3.352 Fc1ccc2C3=C(CCN(C3)C(=O)CCN4CCCCC4)NC(=O)c2c1
4 SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4
5 Canonical SMILES CACTVS 3.352 Fc1ccc2C3=C(CCN(C3)C(=O)CCN4CCCCC4)NC(=O)c2c1
6 Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4