Dooku1   Click here for help

GtoPdb Ligand ID: 10112

Synonyms: Dooku 1 | Dooku-1
Compound class: Synthetic organic
Comment: Dooku 1 blocks Yoda1-induced activation of Piezo1 ion channels [1]. It has no effect on constitutive Piezo1 activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 80.01
Molecular weight 324.98
XLogP 5.14
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cccc(c1CSc1nnc(o1)c1[nH]ccc1)Cl
Isomeric SMILES Clc1cccc(c1CSc1nnc(o1)c1[nH]ccc1)Cl
InChI InChI=1S/C13H9Cl2N3OS/c14-9-3-1-4-10(15)8(9)7-20-13-18-17-12(19-13)11-5-2-6-16-11/h1-6,16H,7H2
InChI Key MNPOBXLPCWFONX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
Synonyms Click here for help
Dooku 1 | Dooku-1
Database Links Click here for help
GtoPdb PubChem SID 381118822
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Tocris
Dooku 1
Cat. No. 6568