General Information of the Compound
| Compound ID |
CP0520195
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| Compound Name |
N-[[1-(5-hydroxy-1-methylindol-3-yl)cyclobutyl]methyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C18H22N2O2
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| Molecular Weight |
298.386
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| Canonical SMILES |
Cn1cc(c2cc(O)ccc12)C1(CNC(=O)C2CC2)CCC1
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| InChI |
InChI=1S/C18H22N2O2/c1-20-10-15(14-9-13(21)5-6-16(14)20)18(7-2-8-18)11-19-17(22)12-3-4-12/h5-6,9-10,12,21H,2-4,7-8,11H2,1H3,(H,19,22)
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| InChIKey |
LIXHWTJZFXGFHQ-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