General Information of the Compound
| Compound ID |
CP0196504
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| Compound Name |
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] trifluoromethanesulfonate
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| Structure |
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| Formula |
C13H15F3N2O3S
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| Molecular Weight |
336.335
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| Canonical SMILES |
CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
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| InChI |
InChI=1S/C13H15F3N2O3S/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3
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| InChIKey |
HWRKZNBGZMBBTP-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