AMG 9810   Click here for help

GtoPdb Ligand ID: 6347

Synonyms: AMG-9810 | AMG9810
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 47.56
Molecular weight 337.17
XLogP 4.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1ccc2c(c1)OCCO2)C=Cc1ccc(cc1)C(C)(C)C
Isomeric SMILES O=C(Nc1ccc2c(c1)OCCO2)/C=C/c1ccc(cc1)C(C)(C)C
InChI InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+
InChI Key GZTFUVZVLYUPRG-IZZDOVSWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
Synonyms Click here for help
AMG-9810 | AMG9810
Database Links Click here for help
CAS Registry No. 545395-94-6 (source: SciFinder)
ChEMBL Ligand CHEMBL195789
GtoPdb PubChem SID 178102965
PubChem CID 680502
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AMG 9810
Cat. No. 2316