General Information of the Compound
| Compound ID |
CP0494409
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| Compound Name |
N-[2-[3-[(dimethylamino)methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C15H22N4O2
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| Molecular Weight |
290.367
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| Canonical SMILES |
COc1ccc2c(CN(C)C)cn(CCNC(C)=O)c2n1
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| InChI |
InChI=1S/C15H22N4O2/c1-11(20)16-7-8-19-10-12(9-18(2)3)13-5-6-14(21-4)17-15(13)19/h5-6,10H,7-9H2,1-4H3,(H,16,20)
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| InChIKey |
FTXCRBLIKHPLLW-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