General Information of the Compound
| Compound ID |
CP0465133
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| Compound Name |
N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C21H28N2O2
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| Molecular Weight |
340.467
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| Canonical SMILES |
COc1ccc2n(C)cc(c2c1)C1(CNC(=O)C2CCC2)CCCC1
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| InChI |
InChI=1S/C21H28N2O2/c1-23-13-18(17-12-16(25-2)8-9-19(17)23)21(10-3-4-11-21)14-22-20(24)15-6-5-7-15/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3,(H,22,24)
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| InChIKey |
ZJEMRWTWDJLTPC-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