IBC 293   

GtoPdb Ligand ID: 1597

Synonyms: IBC-293 | IBC293
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 68.01
Molecular weight 205.09
XLogP 1.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)c1ccc2c(c1)nnn2C(C)C
Isomeric SMILES OC(=O)c1ccc2c(c1)nnn2C(C)C
InChI InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
InChI Key RUTVRAJKELSHCC-UHFFFAOYSA-N
References
1. Semple G, Skinner PJ, Cherrier MC, Webb PJ, Sage CR, Tamura SY, Chen R, Richman JG, Connolly DT. (2006)
1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b.
J. Med. Chem., 49 (4): 1227-30. [PMID:16480258]