spiramide   Click here for help

GtoPdb Ligand ID: 175

Synonyms: AMI-193 | R-5808
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 6
Topological polar surface area 44.81
Molecular weight 383.2
XLogP 3.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
Isomeric SMILES Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
InChI Key FJUKDAZEABGEIH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
International Nonproprietary Names Click here for help
INN number INN
1665 spiramide
Synonyms Click here for help
AMI-193 | R-5808
Database Links Click here for help
BindingDB Ligand 50044444
ChEBI CHEBI:229410
ChEMBL Ligand CHEMBL79834
GtoPdb PubChem SID 135649934
PubChem CID 68186
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Wikipedia Spiramide

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Tocris
AMI-193
Cat. No. 0524