General Information of the Compound
| Compound ID |
CP0914470
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| Compound Name |
N-[2-(2-{[(4-Chlorophenyl)(methyl)amino]methyl}-5-methoxy-1H-indol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C21H24ClN3O2
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| Molecular Weight |
385.895
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| Canonical SMILES |
COc1ccc2[nH]c(CN(C)c3ccc(Cl)cc3)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C21H24ClN3O2/c1-14(26)23-11-10-18-19-12-17(27-3)8-9-20(19)24-21(18)13-25(2)16-6-4-15(22)5-7-16/h4-9,12,24H,10-11,13H2,1-3H3,(H,23,26)
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| InChIKey |
CZUCQFZBDAJPKO-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