General Information of the Compound
| Compound ID |
CP0388145
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| Compound Name |
N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c(C)cccc1C
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| InChI |
InChI=1S/C20H22N2O3/c1-12-6-5-7-13(2)18(12)20-15(10-11-21-14(3)23)19-16(25-20)8-9-17(22-19)24-4/h5-9H,10-11H2,1-4H3,(H,21,23)
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| InChIKey |
LBONVZKKEXRKAB-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