General Information of the Compound
| Compound ID |
CP0121949
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| Compound Name |
2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide
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| Structure |
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| Formula |
C16H14FNO3
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| Molecular Weight |
287.29
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| Canonical SMILES |
COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1
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| InChI |
InChI=1S/C16H14FNO3/c1-20-11-4-2-10-3-5-15-14(13(10)6-11)7-12(21-15)9-18-16(19)8-17/h2-7H,8-9H2,1H3,(H,18,19)
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| InChIKey |
UROMGDLPCGUXCO-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