General Information of the Compound
| Compound ID |
CP0301499
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| Compound Name |
N-[2-[5-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C21H20F3NO3
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| Molecular Weight |
391.389
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| Canonical SMILES |
COc1ccc2oc(Cc3cccc(c3)C(F)(F)F)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C21H20F3NO3/c1-13(26)25-9-8-17-18-12-16(27-2)6-7-19(18)28-20(17)11-14-4-3-5-15(10-14)21(22,23)24/h3-7,10,12H,8-9,11H2,1-2H3,(H,25,26)
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| InChIKey |
QZNYRKGPXRZKKE-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