General Information of the Compound
| Compound ID |
CP0453177
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| Compound Name |
N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide
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| Structure |
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| Formula |
C17H19NO
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| Molecular Weight |
253.345
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| Canonical SMILES |
CCC(=O)NCCC1Cc2cccc3cccc1c23
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| InChI |
InChI=1S/C17H19NO/c1-2-16(19)18-10-9-13-11-14-7-3-5-12-6-4-8-15(13)17(12)14/h3-8,13H,2,9-11H2,1H3,(H,18,19)
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| InChIKey |
GVRNXAIGBGHIGO-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