General Information of the Compound
| Compound ID |
CP0318039
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| Compound Name |
3-(2-Dimethylamino-ethyl)-1H-indole-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C15H20N2O2
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| Molecular Weight |
260.337
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| Canonical SMILES |
CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
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| InChI |
InChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3
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| InChIKey |
DHMRDBMKJIHQOM-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT02458, 5-hydroxytryptamine receptor 1F
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor