General Information of the Compound
| Compound ID |
CP0690097
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| Compound Name |
2-(5,5,5-trifluoro-4-hydroxy-2-methyl-4-((5-(methylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)pentan-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H24F3N3O5S2
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| Molecular Weight |
519.567
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| Canonical SMILES |
CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1S(N)(=O)=O
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| InChI |
InChI=1S/C21H24F3N3O5S2/c1-19(2,15-6-4-5-7-17(15)34(25,31)32)12-20(28,21(22,23)24)10-14-8-13-9-18(33(3,29)30)26-11-16(13)27-14/h4-9,11,27-28H,10,12H2,1-3H3,(H2,25,31,32)
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| InChIKey |
NHDBZQPHSRUJIZ-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