General Information of the Compound
| Compound ID |
CP0671078
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| Compound Name |
[2-Methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]trifluoromethanesulfonate
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| Structure |
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| Formula |
C15H15F3N2O3S
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| Molecular Weight |
360.357
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| Canonical SMILES |
Cc1[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc2c1C1=CCNCC1
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| InChI |
InChI=1S/C15H15F3N2O3S/c1-9-14(10-4-6-19-7-5-10)12-8-11(2-3-13(12)20-9)23-24(21,22)15(16,17)18/h2-4,8,19-20H,5-7H2,1H3
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| InChIKey |
TVGSRQITRNMKJJ-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