General Information of the Compound
| Compound ID |
CP0301500
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| Compound Name |
N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]furan-2-carboxamide
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| Structure |
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| Formula |
C23H21NO4
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| Molecular Weight |
375.424
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| Canonical SMILES |
COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)c3ccco3)c2c1
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| InChI |
InChI=1S/C23H21NO4/c1-26-17-9-10-20-19(15-17)18(11-12-24-23(25)21-8-5-13-27-21)22(28-20)14-16-6-3-2-4-7-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,25)
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| InChIKey |
GXQZSRBRAAKMQM-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