General Information of the Compound
| Compound ID |
CP0184803
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| Compound Name |
N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-2-iodoacetamide
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| Structure |
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| Formula |
C20H20INO3
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| Molecular Weight |
449.288
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| Canonical SMILES |
COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CI)c2c1
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| InChI |
InChI=1S/C20H20INO3/c1-24-15-7-8-18-17(12-15)16(9-10-22-20(23)13-21)19(25-18)11-14-5-3-2-4-6-14/h2-8,12H,9-11,13H2,1H3,(H,22,23)
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| InChIKey |
KPIYNDFSNQTDFP-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