Jedi1   Click here for help

GtoPdb Ligand ID: 10249

PDB Ligand
Compound class: Synthetic organic
Comment: Piezo1 chemical activator.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 50.44
Molecular weight 202.06
XLogP 2.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1cc(oc1C)c1ccccc1
Isomeric SMILES OC(=O)c1cc(oc1C)c1ccccc1
InChI InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChI Key VLMNACSEESRUAK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-methyl-5-phenylfuran-3-carboxylic acid
Database Links Click here for help
CAS Registry No. 108124-17-0
GtoPdb PubChem SID 381744931
PubChem CID 736516
RCSB PDB Ligand 2D2
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