General Information of the Compound
| Compound ID |
CP0471612
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| Compound Name |
N-[2-(3-methoxyphenyl)sulfanylethyl]acetamide
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| Structure |
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| Formula |
C11H15NO2S
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| Molecular Weight |
225.313
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| Canonical SMILES |
COc1cccc(SCCNC(C)=O)c1
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| InChI |
InChI=1S/C11H15NO2S/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
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| InChIKey |
FBRQSCJSCUGNAZ-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