General Information of the Compound
| Compound ID |
CP0847772
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| Compound Name |
2,2-difluoro-N-(3-hydroxy-2-(7-methoxynaphthalen-1-yl)propyl)acetamide
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| Structure |
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| Formula |
C16H17F2NO3
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| Molecular Weight |
309.312
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| Canonical SMILES |
COc1ccc2cccc(C(CO)CNC(=O)C(F)F)c2c1
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| InChI |
InChI=1S/C16H17F2NO3/c1-22-12-6-5-10-3-2-4-13(14(10)7-12)11(9-20)8-19-16(21)15(17)18/h2-7,11,15,20H,8-9H2,1H3,(H,19,21)
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| InChIKey |
XZEYGNFLOALHLU-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B