General Information of the Compound
| Compound ID |
CP0128976
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| Compound Name |
5-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-propan-2-ylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]benzamide
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| Structure |
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| Formula |
C24H27F4N3O4S
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| Molecular Weight |
529.556
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| Canonical SMILES |
CC(C)S(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
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| InChI |
InChI=1S/C24H27F4N3O4S/c1-13(2)36(34,35)20-8-14-7-16(31-19(14)11-30-20)10-23(33,24(26,27)28)12-22(3,4)18-6-5-15(25)9-17(18)21(29)32/h5-9,11,13,31,33H,10,12H2,1-4H3,(H2,29,32)
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| InChIKey |
XDLANRATEHYNAI-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