General Information of the Compound
| Compound ID |
CP0295961
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| Compound Name |
3-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C19H18F3N3O2S
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| Molecular Weight |
409.433
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)S(=O)(=O)c1cn(C2CCCNC2)c2ncccc12
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| InChI |
InChI=1S/C19H18F3N3O2S/c20-19(21,22)13-4-1-6-15(10-13)28(26,27)17-12-25(14-5-2-8-23-11-14)18-16(17)7-3-9-24-18/h1,3-4,6-7,9-10,12,14,23H,2,5,8,11H2
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| InChIKey |
DJHAAKDZLZSXFT-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