General Information of the Compound
| Compound ID |
CP0447593
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| Compound Name |
N-[3-(4-hydroxy-3-methoxyphenyl)propyl]acetamide
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| Synonyms |
CHEMBL1092047
N-(3-(4-hydroxy-3-methoxyphenyl)propyl)acetamide
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| Structure |
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| Formula |
C12H17NO3
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| Molecular Weight |
223.272
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| Canonical SMILES |
COc1cc(CCCNC(C)=O)ccc1O
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| InChI |
InChI=1S/C12H17NO3/c1-9(14)13-7-3-4-10-5-6-11(15)12(8-10)16-2/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)
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| InChIKey |
YOLSQHAXCLGSKL-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
Clinical Information about the Compound