talipexole   Click here for help

GtoPdb Ligand ID: 5442

Synonyms: B-HT920 | BHT920
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 70.39
Molecular weight 209.1
XLogP 0.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=CCN1CCc2c(CC1)nc(s2)N
Isomeric SMILES C=CCN1CCc2c(CC1)nc(s2)N
InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
InChI Key DHSSDEDRBUKTQY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(prop-2-en-1-yl)-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepin-2-amine
International Nonproprietary Names Click here for help
INN number INN
5973 talipexole
Synonyms Click here for help
B-HT920 | BHT920
Database Links Click here for help
CAS Registry No. 101626-70-4
ChEMBL Ligand CHEMBL279085
DrugCentral Ligand 2558
GtoPdb PubChem SID 178102093
PubChem CID 5374
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Wikipedia Talipexole