AM281   Click here for help

GtoPdb Ligand ID: 741

Synonyms: AM 281 | AM-281
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 1
Rotatable bonds 5
Topological polar surface area 58.87
Molecular weight 555.99
XLogP 5.31
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1
Isomeric SMILES Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1
InChI InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
InChI Key AJFFBPZYXRNAIC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
Synonyms Click here for help
AM 281 | AM-281
Database Links Click here for help
Specialist databases
GPCRdb Ligand AM281
Other databases
BindingDB Ligand 50267372
ChEMBL Ligand CHEMBL476833
GtoPdb PubChem SID 135649928
PubChem CID 4302962
Search Google for chemical match using the InChIKey AJFFBPZYXRNAIC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AJFFBPZYXRNAIC
UniChem Compound Search for chemical match using the InChIKey AJFFBPZYXRNAIC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AJFFBPZYXRNAIC-UHFFFAOYSA-N

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Tocris
AM 281 (links to external site)
Cat. No. 1115