General Information of the Compound
| Compound ID |
CP0502110
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| Compound Name |
N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide
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| Structure |
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| Formula |
C19H23NO2
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| Molecular Weight |
297.398
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| Canonical SMILES |
CCCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23
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| InChI |
InChI=1S/C19H23NO2/c1-3-5-17(21)20-11-10-15-12-14-7-4-6-13-8-9-16(22-2)19(15)18(13)14/h4,6-9,15H,3,5,10-12H2,1-2H3,(H,20,21)
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| InChIKey |
MKSAHXNIYUYOHR-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