General Information of the Compound
| Compound ID |
CP0873203
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| Compound Name |
N-{2-[(3-Methoxyphenyl)thio]propyl}acetamide
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| Structure |
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| Formula |
C12H17NO2S
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| Molecular Weight |
239.34
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| Canonical SMILES |
COc1cccc(SC(C)CNC(C)=O)c1
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| InChI |
InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
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| InChIKey |
JXAUKESHFHRNAG-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