General Information of the Compound
| Compound ID |
CP0274843
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| Compound Name |
N-[2-[2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C20H21NO3
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| Molecular Weight |
323.392
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| Canonical SMILES |
COc1cccc(Cc2oc3ccccc3c2CCNC(C)=O)c1
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| InChI |
InChI=1S/C20H21NO3/c1-14(22)21-11-10-18-17-8-3-4-9-19(17)24-20(18)13-15-6-5-7-16(12-15)23-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)
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| InChIKey |
WDMYMHNBHPLAEE-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
Protein ID: PT02174, Melatonin receptor type 1B