General Information of the Compound
| Compound ID |
CP0117978
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| Compound Name |
N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide
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| Structure |
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| Formula |
C19H19BrN2O2
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| Molecular Weight |
387.277
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| Canonical SMILES |
COc1cccc2n(Cc3ccccc3)c(CNC(C)=O)c(Br)c12
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| InChI |
InChI=1S/C19H19BrN2O2/c1-13(23)21-11-16-19(20)18-15(9-6-10-17(18)24-2)22(16)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,21,23)
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| InChIKey |
NFGVKGDBPKKWGD-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