General Information of the Compound
| Compound ID |
CP0105646
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| Compound Name |
1-ethyl-3-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]urea
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| Structure |
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| Formula |
C18H20N2O3
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| Molecular Weight |
312.369
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| Canonical SMILES |
CCNC(=O)NCCc1coc2ccc3ccc(OC)cc3c12
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| InChI |
InChI=1S/C18H20N2O3/c1-3-19-18(21)20-9-8-13-11-23-16-7-5-12-4-6-14(22-2)10-15(12)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)
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| InChIKey |
ACOBYGMBJMXULD-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