General Information of the Compound
| Compound ID |
CP0493077
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| Compound Name |
N-(2-phenylsulfanylethyl)acetamide
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| Structure |
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| Formula |
C10H13NOS
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| Molecular Weight |
195.287
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| Canonical SMILES |
CC(=O)NCCSc1ccccc1
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| InChI |
InChI=1S/C10H13NOS/c1-9(12)11-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
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| InChIKey |
RSOVUTMFSIKQHH-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