General Information of the Compound
| Compound ID |
CP0449503
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| Compound Name |
N-[[1-(5-methoxy-1-methylindol-3-yl)cyclobutyl]methyl]acetamide
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| Structure |
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| Formula |
C17H22N2O2
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| Molecular Weight |
286.375
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| Canonical SMILES |
COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CCC1
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| InChI |
InChI=1S/C17H22N2O2/c1-12(20)18-11-17(7-4-8-17)15-10-19(2)16-6-5-13(21-3)9-14(15)16/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,18,20)
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| InChIKey |
HCYZUOYUELCLHP-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