AC265347   Click here for help

GtoPdb Ligand ID: 3947

Synonyms: AC 265347 | AC-265347
Compound class: Synthetic organic
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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 2
Topological polar surface area 61.36
Molecular weight 283.1
XLogP 3.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C
Isomeric SMILES Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C
InChI InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3
InChI Key IGSZVEPQZANNAB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol
Synonyms Click here for help
AC 265347 | AC-265347
Database Links Click here for help
ChEMBL Ligand CHEMBL1256367
GtoPdb PubChem SID 178100774
PubChem CID 52943938
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Tocris
AC 265347
Cat. No. 6165