General Information of the Compound
| Compound ID |
CP0434332
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| Compound Name |
N-[2-(7-bromo-5-methoxy-1-methylindol-3-yl)ethyl]butanamide
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| Structure |
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| Formula |
C16H21BrN2O2
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| Molecular Weight |
353.26
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| Canonical SMILES |
CCCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12
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| InChI |
InChI=1S/C16H21BrN2O2/c1-4-5-15(20)18-7-6-11-10-19(2)16-13(11)8-12(21-3)9-14(16)17/h8-10H,4-7H2,1-3H3,(H,18,20)
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| InChIKey |
YBEOAQXDVQZIRF-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