arpromidine   

GtoPdb Ligand ID: 1221

Abbreviated name: ARP
Compound class: Synthetic organic
Comment: Arpromidine is a histamine H1 receptor antagonist.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 91.98
Molecular weight 380.21
XLogP 2.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F
Isomeric SMILES NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F
InChI InChI=1S/C21H25FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)
InChI Key KZZIVOLMJPSDEP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(3H-imidazol-4-yl)propyl]guanidine
International Nonproprietary Names
INN number INN
6255 arpromidine
Database Links
CAS Registry No. 106669-71-0 (source: Scifinder)
ChEMBL Ligand CHEMBL293802
GtoPdb PubChem SID 135649957
PubChem CID 65895
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