General Information of the Compound
| Compound ID |
CP0495827
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| Compound Name |
N-[2-(9-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]acetamide
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| Structure |
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| Formula |
C18H21NO2
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| Molecular Weight |
283.371
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| Canonical SMILES |
COc1ccc2cccc3CCC(CCNC(C)=O)c1c23
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| InChI |
InChI=1S/C18H21NO2/c1-12(20)19-11-10-15-7-6-13-4-3-5-14-8-9-16(21-2)18(15)17(13)14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,19,20)
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| InChIKey |
FZECXOJUPOTGGG-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