General Information of the Compound
| Compound ID |
CP0420022
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| Compound Name |
1-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]-3-methylthiourea
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| Structure |
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| Formula |
C16H16N2O2S
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| Molecular Weight |
300.383
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| Canonical SMILES |
CNC(=S)NCc1cc2c(ccc3ccc(OC)cc23)o1
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| InChI |
InChI=1S/C16H16N2O2S/c1-17-16(21)18-9-12-8-14-13-7-11(19-2)5-3-10(13)4-6-15(14)20-12/h3-8H,9H2,1-2H3,(H2,17,18,21)
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| InChIKey |
DYGPDIAKYPPAMH-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