General Information of the Compound
| Compound ID |
CP0185200
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| Compound Name |
N-[2-(1H-indol-2-yl)ethyl]acetamide
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| Structure |
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| Formula |
C12H14N2O
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| Molecular Weight |
202.257
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| Canonical SMILES |
CC(=O)NCCc1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C12H14N2O/c1-9(15)13-7-6-11-8-10-4-2-3-5-12(10)14-11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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| InChIKey |
GQXBQPMUFZNOHW-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