RGFP109   Click here for help

GtoPdb Ligand ID: 7501

Synonyms: RG-2833 | RG2833 | RGFP-109
Compound class: Synthetic organic
Comment: RGFP109 is a brain-penetrant HDAC inhibitor with selectivity for HDACs 1 and 3 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 84.22
Molecular weight 339.19
XLogP 3.02
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1ccccc1N)CCCCCNC(=O)c1ccc(cc1)C
Isomeric SMILES O=C(Nc1ccccc1N)CCCCCNC(=O)c1ccc(cc1)C
InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)
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Molecular structure representations generated using Open Babel