General Information of the Compound
| Compound ID |
CP0472545
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| Compound Name |
N-[(8-methoxybenzo[e][1]benzofuran-1-yl)methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C18H19NO3
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| Molecular Weight |
297.354
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| Canonical SMILES |
COc1ccc2ccc3occ(CNC(=O)C(C)C)c3c2c1
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| InChI |
InChI=1S/C18H19NO3/c1-11(2)18(20)19-9-13-10-22-16-7-5-12-4-6-14(21-3)8-15(12)17(13)16/h4-8,10-11H,9H2,1-3H3,(H,19,20)
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| InChIKey |
PSTWWJGKGVTVBX-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