General Information of the Compound
| Compound ID |
CP0098513
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| Compound Name |
N-[2-[5-methoxy-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
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| Synonyms |
S 24014
S-24014
S24014
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1
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| 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)
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| InChIKey |
GNWDMICUDNQPEK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01843, Melatonin receptor type 1A
Cell-based Assay
Protein ID: PT02174, Melatonin receptor type 1B
Cell-based Assay
Clinical Information about the Compound