[3H]rimonabant   Click here for help

GtoPdb Ligand ID: 745

Synonyms: [3H]-rimonabant | [3H]-SR141716 | [3H]SR141716A
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.64
Molecular weight 462.08
XLogP 6.13
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1
Isomeric SMILES Clc1ccc(cc1)c1n(nc(c1C([3H])([3H])[3H])C(=O)NN1CCCCC1)c1ccc(cc1Cl)Cl
InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)/i1T3
InChI Key JZCPYUJPEARBJL-RLXJOQACSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4-(tritritiomethyl)pyrazole-3-carboxamide
Synonyms Click here for help
[3H]-rimonabant | [3H]-SR141716 | [3H]SR141716A
Database Links Click here for help
ChEMBL Ligand CHEMBL1788112
GtoPdb PubChem SID 135651209
PubChem CID 54585418
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