Yoda1   

GtoPdb Ligand ID: 9817

Synonyms: Yoda 1
Compound class: Synthetic organic
Comment: Piezo1 channel activator
2D Structure
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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
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Isomeric SMILES Download
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InChI standard key Download

Molecular structure representations generated using Open Babel