General Information of the Compound
| Compound ID |
CP0435695
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| Compound Name |
N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide
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| Structure |
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| Formula |
C23H27NO2
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| Molecular Weight |
349.474
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| Canonical SMILES |
CC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12
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| InChI |
InChI=1S/C23H27NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,17H,5-6,8,11,13-14,16H2,1H3,(H,24,25)
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| InChIKey |
ILDDNXWFXWQXIU-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