CIFEA   Click here for help

GtoPdb Ligand ID: 7780

Synonyms: cyclohexylmethyl-indenofurane-ethylacetamide
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 6
Topological polar surface area 38.33
Molecular weight 339.22
XLogP 5.02
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2
Isomeric SMILES CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2
InChI InChI=1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24)
InChI Key MMMAALHYEKMNHU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
Synonyms Click here for help
cyclohexylmethyl-indenofurane-ethylacetamide
Database Links Click here for help
Specialist databases
GPCRdb Ligand CIFEA
Other databases
ChEMBL Ligand CHEMBL1774519
GtoPdb PubChem SID 223366113
PubChem CID 53238181
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