General Information of the Compound
| Compound ID |
CP0430669
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| Compound Name |
N-[3-[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]propyl]acetamide
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| Structure |
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| Formula |
C18H22N2O3
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| Molecular Weight |
314.385
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| Canonical SMILES |
COc1ccc(OCc2ccccn2)c(CCCNC(C)=O)c1
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| InChI |
InChI=1S/C18H22N2O3/c1-14(21)19-11-5-6-15-12-17(22-2)8-9-18(15)23-13-16-7-3-4-10-20-16/h3-4,7-10,12H,5-6,11,13H2,1-2H3,(H,19,21)
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| InChIKey |
NCALHGWOQMIBAA-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