General Information of the Compound
| Compound ID |
CP0093677
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| Compound Name |
3-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-(1-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C20H20F3N3O2S
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| Molecular Weight |
423.46
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| Canonical SMILES |
CN1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3N3O2S/c1-25-10-4-6-15(12-25)26-13-18(17-8-3-9-24-19(17)26)29(27,28)16-7-2-5-14(11-16)20(21,22)23/h2-3,5,7-9,11,13,15H,4,6,10,12H2,1H3
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| InChIKey |
LTLJCRZLNGLYAB-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