General Information of the Compound
| Compound ID |
CP0467651
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| Compound Name |
N-[2-(3-iodo-6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]acetamide
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| Structure |
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| Formula |
C12H14IN3O2
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| Molecular Weight |
359.167
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| Canonical SMILES |
COc1ccc2c(I)cn(CCNC(C)=O)c2n1
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| InChI |
InChI=1S/C12H14IN3O2/c1-8(17)14-5-6-16-7-10(13)9-3-4-11(18-2)15-12(9)16/h3-4,7H,5-6H2,1-2H3,(H,14,17)
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| InChIKey |
MLYWJXPMINHYNS-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