SRT2104   Click here for help

GtoPdb Ligand ID: 9515

Synonyms: compound 4 [Ng et al., 2013] [5] | GSK2245840 | SRT-2104
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: SRT2104 (GSK2245840) is an investigational, selective and orally available SIRT1 activator [4-5].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 141.13
Molecular weight 516.14
XLogP 2.65
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1sc(nc1C)c1cccnc1)Nc1ccccc1c1cn2c(n1)scc2CN1CCOCC1
Isomeric SMILES O=C(c1sc(nc1C)c1cccnc1)Nc1ccccc1c1cn2c(n1)scc2CN1CCOCC1
InChI InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 4 [Ng et al., 2013] [5] | GSK2245840 | SRT-2104
Database Links Click here for help
CAS Registry No. 1093403-33-8 (source: PubChem)
GtoPdb PubChem SID 336446902
PubChem CID 25108829
Search Google for chemical match using the InChIKey LAMQVIQMVKWXOC-UHFFFAOYSA-N
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UniChem Connectivity Search for chemical match using the InChIKey LAMQVIQMVKWXOC-UHFFFAOYSA-N