General Information of the Compound
| Compound ID |
CP0731367
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| Compound Name |
2,6-difluoro-N-(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 |
C25H25F2N5O4S3
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| Molecular Weight |
593.703
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| Canonical SMILES |
CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1
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| InChI |
InChI=1S/C25H25F2N5O4S3/c1-15(2)24-31-21(22(37-24)20-10-11-28-25(30-20)29-12-13-38(3,33)34)16-6-4-7-17(14-16)32-39(35,36)23-18(26)8-5-9-19(23)27/h4-11,14-15,32H,12-13H2,1-3H3,(H,28,29,30)
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| InChIKey |
BROBBTNGBMGVFY-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
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000313 | SK-MEL-28 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 10 nM
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