S24014   Click here for help

GtoPdb Ligand ID: 1353

Synonyms: S 24014 | S-24014
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 8
Topological polar surface area 60.7
Molecular weight 353.16
XLogP 3.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cccc(c1)Cc1oc2c(c1CCNC(=O)C)cc(cc2)OC
Isomeric SMILES COc1cccc(c1)Cc1oc2c(c1CCNC(=O)C)cc(cc2)OC
InChI InChI=1S/C21H23NO4/c1-14(23)22-10-9-18-19-13-17(25-3)7-8-20(19)26-21(18)12-15-5-4-6-16(11-15)24-2/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,23)
InChI Key GNWDMICUDNQPEK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-[5-methoxy-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
Synonyms Click here for help
S 24014 | S-24014
Database Links Click here for help
Specialist databases
GPCRdb Ligand S24014
Other databases
BindingDB Ligand 50114704
CAS Registry No. 229323-14-2 (source: Scifinder)
ChEMBL Ligand CHEMBL33549
GtoPdb PubChem SID 135650966
PubChem CID 9998187
Search Google for chemical match using the InChIKey GNWDMICUDNQPEK-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey GNWDMICUDNQPEK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GNWDMICUDNQPEK-UHFFFAOYSA-N