General Information of the Compound
| Compound ID |
CP0423019
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| Compound Name |
3-(2-acetamidoethyl)-1-benzofuran-5-carboxamide
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| Structure |
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| Formula |
C13H14N2O3
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| Molecular Weight |
246.266
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| Canonical SMILES |
CC(=O)NCCc1coc2ccc(cc12)C(N)=O
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| InChI |
InChI=1S/C13H14N2O3/c1-8(16)15-5-4-10-7-18-12-3-2-9(13(14)17)6-11(10)12/h2-3,6-7H,4-5H2,1H3,(H2,14,17)(H,15,16)
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| InChIKey |
VIEBSWGQQLTIQK-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