General Information of the Compound
| Compound ID |
CP0850844
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| Compound Name |
2,6-difluoro-N-(2-fluoro-3-(2-isopropyl-5-(2-(2-(methylsulfonyl)ethylamino)pyrimidin-4-yl)thiazol-4-yl)phenyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H24F3N5O4S3
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| Molecular Weight |
611.693
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| Canonical SMILES |
CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1
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| InChI |
InChI=1S/C25H24F3N5O4S3/c1-14(2)24-32-21(22(38-24)19-10-11-29-25(31-19)30-12-13-39(3,34)35)15-6-4-9-18(20(15)28)33-40(36,37)23-16(26)7-5-8-17(23)27/h4-11,14,33H,12-13H2,1-3H3,(H,29,30,31)
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| InChIKey |
PVKSJSXGNNYYHL-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