General Information of the Compound
| Compound ID |
CP0467125
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| Compound Name |
N-[2-(7-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C14H17BrN2O2
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| Molecular Weight |
325.206
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| Canonical SMILES |
COc1cc(Br)c2n(C)cc(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C14H17BrN2O2/c1-9(18)16-5-4-10-8-17(2)14-12(10)6-11(19-3)7-13(14)15/h6-8H,4-5H2,1-3H3,(H,16,18)
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| InChIKey |
HVJNFQNXQLFJHH-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