General Information of the Compound
| Compound ID |
CP0430122
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| Compound Name |
N-[(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]acetamide
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| Structure |
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| Formula |
C17H19NO2
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| Molecular Weight |
269.344
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| Canonical SMILES |
COc1ccc2cccc3C(CNC(C)=O)CCc1c23
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| InChI |
InChI=1S/C17H19NO2/c1-11(19)18-10-13-6-8-15-16(20-2)9-7-12-4-3-5-14(13)17(12)15/h3-5,7,9,13H,6,8,10H2,1-2H3,(H,18,19)
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| InChIKey |
ZXFQVANTAXUIKB-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