[3H]mazindol   

GtoPdb Ligand ID: 4591

Synonyms: [3H]-mazindol
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 35.83
Molecular weight 284.07
XLogP 3.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12
Isomeric SMILES Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12
InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
InChI Key ZPXSCAKFGYXMGA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-(4-chlorophenyl)-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol
Synonyms
[3H]-mazindol
Database Links
ChEMBL Ligand CHEMBL781
DrugCentral Ligand 1640
GtoPdb PubChem SID 178101312
PubChem CID 4020
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