General Information of the Compound
| Compound ID |
CP0483471
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| Compound Name |
3-(1,2,5,6-Tetrahydro-pyridin-3-yl)-1-(2-trifluoromethyl-benzenesulfonyl)-1H-indole
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| Structure |
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| Formula |
C20H17F3N2O2S
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| Molecular Weight |
406.429
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| Canonical SMILES |
FC(F)(F)c1ccccc1S(=O)(=O)n1cc(C2=CCCNC2)c2ccccc12
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| InChI |
InChI=1S/C20H17F3N2O2S/c21-20(22,23)17-8-2-4-10-19(17)28(26,27)25-13-16(14-6-5-11-24-12-14)15-7-1-3-9-18(15)25/h1-4,6-10,13,24H,5,11-12H2
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| InChIKey |
JDWKQLXSXWWWGH-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