General Information of the Compound
| Compound ID |
CP0505783
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| Compound Name |
N-[2-[6-methoxy-3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C14H20N4O2
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| Molecular Weight |
276.34
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| Canonical SMILES |
CNCc1cn(CCNC(C)=O)c2nc(OC)ccc12
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| InChI |
InChI=1S/C14H20N4O2/c1-10(19)16-6-7-18-9-11(8-15-2)12-4-5-13(20-3)17-14(12)18/h4-5,9,15H,6-8H2,1-3H3,(H,16,19)
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| InChIKey |
BNECBUSPJTTYQW-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