General Information of the Compound
| Compound ID |
CP0415639
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| Compound Name |
N-[2-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C14H17ClN2O2
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| Molecular Weight |
280.755
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| Canonical SMILES |
COc1cc2c(CCNC(C)=O)c(C)[nH]c2cc1Cl
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| InChI |
InChI=1S/C14H17ClN2O2/c1-8-10(4-5-16-9(2)18)11-6-14(19-3)12(15)7-13(11)17-8/h6-7,17H,4-5H2,1-3H3,(H,16,18)
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| InChIKey |
GJIFXQUAUXBPKZ-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