General Information of the Compound
| Compound ID |
CP0406335
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| Compound Name |
N-ethyl-N-methyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine
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| Structure |
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| Formula |
C20H21F3N2
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| Molecular Weight |
346.396
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| Canonical SMILES |
CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H21F3N2/c1-3-25(2)12-11-17-16-9-4-5-10-18(16)24-19(17)14-7-6-8-15(13-14)20(21,22)23/h4-10,13,24H,3,11-12H2,1-2H3
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| InChIKey |
QBUNYKZCKJJRII-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor