General Information of the Compound
| Compound ID |
CP0461899
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| Compound Name |
N-[[1-(5-methoxy-1-methylindol-3-yl)cyclopentyl]methyl]butanamide
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| Structure |
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| Formula |
C20H28N2O2
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| Molecular Weight |
328.456
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| Canonical SMILES |
CCCC(=O)NCC1(CCCC1)c1cn(C)c2ccc(OC)cc12
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| InChI |
InChI=1S/C20H28N2O2/c1-4-7-19(23)21-14-20(10-5-6-11-20)17-13-22(2)18-9-8-15(24-3)12-16(17)18/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,21,23)
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| InChIKey |
VYBNBPACLNMCHY-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