General Information of the Compound
| Compound ID |
CP0794262
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| Compound Name |
5-methyl-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 |
C23H26F3N3O4S
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| Molecular Weight |
497.539
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| Canonical SMILES |
Cc1ccc(C(C)(C)CC(O)(Cc2cc3cc(S(C)(=O)=O)ncc3[nH]2)C(F)(F)F)c(C(N)=O)c1
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| InChI |
InChI=1S/C23H26F3N3O4S/c1-13-5-6-17(16(7-13)20(27)30)21(2,3)12-22(31,23(24,25)26)10-15-8-14-9-19(34(4,32)33)28-11-18(14)29-15/h5-9,11,29,31H,10,12H2,1-4H3,(H2,27,30)
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| InChIKey |
KBCDLIHQEVOPOI-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