cipralisant   Click here for help

GtoPdb Ligand ID: 1244

Synonyms: GT-2331
Compound class: Synthetic organic
Comment: This compound exhibits functional selectivity for the histamine H3 receptor, displaying both agonist and antagonist actions, depending on the G protein content of the cells examined [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 28.68
Molecular weight 216.16
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(CCC#CC1CC1c1[nH]cnc1)(C)C
Isomeric SMILES CC(CCC#C[C@@H]1C[C@H]1c1[nH]cnc1)(C)C
InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
InChI Key CVKJAXCQPFOAIN-VXGBXAGGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-3H-imidazole
International Nonproprietary Names Click here for help
INN number INN
8145 cipralisant
Synonyms Click here for help
GT-2331
Database Links Click here for help
CAS Registry No. 213027-19-1 (source: Scifinder)
ChEMBL Ligand CHEMBL278462
GtoPdb PubChem SID 135650808
PubChem CID 6450823
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