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
BindingDB Ligand 50267372
ChEMBL Ligand CHEMBL476833
GtoPdb PubChem SID 135649928
PubChem CID 4302962
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Tocris
AM 281
Cat. No. 1115