Yoda1   

GtoPdb Ligand ID: 9817

Synonyms: Yoda 1
Compound class: Synthetic organic
Comment: Piezo1 channel activator
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 105.1
Molecular weight 353.96
XLogP 3.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cccc(c1CSc1nnc(s1)c1cnccn1)Cl
Isomeric SMILES Clc1cccc(c1CSc1nnc(s1)c1cnccn1)Cl
InChI InChI=1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2
InChI Key BQNXBSYSQXSXPT-UHFFFAOYSA-N
References
1. Syeda R, Xu J, Dubin AE, Coste B, Mathur J, Huynh T, Matzen J, Lao J, Tully DC, Engels IH et al.. (2015)
Chemical activation of the mechanotransduction channel Piezo1.
Elife, 4. [PMID:26001275]