dabuzalgron   Click here for help

GtoPdb Ligand ID: 3469

Synonyms: R 450 | Ro-115-1240 | Ro-1151240190
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 88.17
Molecular weight 317.06
XLogP 1.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1
Isomeric SMILES Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1
InChI InChI=1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)
InChI Key FOYWMEJSRSBQGB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide
International Nonproprietary Names Click here for help
INN number INN
8386 dabuzalgron
Synonyms Click here for help
R 450 | Ro-115-1240 | Ro-1151240190
Database Links Click here for help
CAS Registry No. 219311-44-1 (source: Scifinder)
ChEMBL Ligand CHEMBL257978
GtoPdb PubChem SID 178100463
PubChem CID 216249
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