General Information of the Compound
| Compound ID |
CP0041161
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| Compound Name |
N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C20H20ClNO3
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| Molecular Weight |
357.837
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| Canonical SMILES |
COc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C20H20ClNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)
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| InChIKey |
ZIYGGMCXBZJOAI-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