General Information of the Compound
| Compound ID |
CP0696969
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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)benzamide
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| Structure |
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| Formula |
C22H24F3N3O4S
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| Molecular Weight |
483.512
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| Canonical SMILES |
CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccccc1C(N)=O
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| InChI |
InChI=1S/C22H24F3N3O4S/c1-20(2,16-7-5-4-6-15(16)19(26)29)12-21(30,22(23,24)25)10-14-8-13-9-18(33(3,31)32)27-11-17(13)28-14/h4-9,11,28,30H,10,12H2,1-3H3,(H2,26,29)
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| InChIKey |
IWTKLSNKJDHVML-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