General Information of the Compound
| Compound ID |
CP0332330
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| Compound Name |
[3-[2-(diethylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
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| Structure |
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| Formula |
C15H19F3N2O3S
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| Molecular Weight |
364.389
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| Canonical SMILES |
CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
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| InChI |
InChI=1S/C15H19F3N2O3S/c1-3-20(4-2)8-7-11-10-19-14-6-5-12(9-13(11)14)23-24(21,22)15(16,17)18/h5-6,9-10,19H,3-4,7-8H2,1-2H3
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| InChIKey |
RIQXJVJIJZOICG-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00957, D(2) dopamine receptor