General Information of the Compound
| Compound ID |
CP0947476
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| Compound Name |
N-(2-(2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-methoxy-1H-indol-3-yl)ethyl)acetamide
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
COc1ccc2[nH]c(CN3CCc4ccccc4C3)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C23H27N3O2/c1-16(27)24-11-9-20-21-13-19(28-2)7-8-22(21)25-23(20)15-26-12-10-17-5-3-4-6-18(17)14-26/h3-8,13,25H,9-12,14-15H2,1-2H3,(H,24,27)
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| InChIKey |
DILSDCKFEPMGDF-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