General Information of the Compound
| Compound ID |
CP0436038
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| Compound Name |
N-[2-[6-methoxy-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C14H14F3N3O3
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| Molecular Weight |
329.278
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| Canonical SMILES |
COc1ccc2c(cn(CCNC(C)=O)c2n1)C(=O)C(F)(F)F
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| InChI |
InChI=1S/C14H14F3N3O3/c1-8(21)18-5-6-20-7-10(12(22)14(15,16)17)9-3-4-11(23-2)19-13(9)20/h3-4,7H,5-6H2,1-2H3,(H,18,21)
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| InChIKey |
JDACSMSKZRUGMB-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