General Information of the Compound
| Compound ID |
CP0517417
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| Compound Name |
N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C19H26N2O2
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| Molecular Weight |
314.429
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| Canonical SMILES |
COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(=O)C1CCC1
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| InChI |
InChI=1S/C19H26N2O2/c1-19(2,12-20-18(22)13-6-5-7-13)16-11-21(3)17-9-8-14(23-4)10-15(16)17/h8-11,13H,5-7,12H2,1-4H3,(H,20,22)
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| InChIKey |
BYKMJQBTDAIGIH-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