General Information of the Compound
| Compound ID |
CP0496363
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| Compound Name |
N-[2-[5-methoxy-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C19H20N2O3
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| Molecular Weight |
324.38
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| Canonical SMILES |
COc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C19H20N2O3/c1-13(22)21-9-7-16-17-11-15(23-2)5-6-18(17)24-19(16)10-14-4-3-8-20-12-14/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,21,22)
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| InChIKey |
GGESSWUOGJXGCX-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