General Information of the Compound
| Compound ID |
CP0389226
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| Compound Name |
N-[(1-methyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
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| Structure |
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| Formula |
C13H18N2O
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| Molecular Weight |
218.3
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| Canonical SMILES |
CN1CC(CNC(C)=O)Cc2ccccc12
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| InChI |
InChI=1S/C13H18N2O/c1-10(16)14-8-11-7-12-5-3-4-6-13(12)15(2)9-11/h3-6,11H,7-9H2,1-2H3,(H,14,16)
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| InChIKey |
XZWGYKLDGLRDDW-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