General Information of the Compound
| Compound ID |
CP0198701
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| Compound Name |
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]-1,3-thiazole-2-sulfonamide
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| Structure |
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| Formula |
C19H12F2N8O2S2
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| Molecular Weight |
486.489
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2nccs2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C19H12F2N8O2S2/c20-11-3-4-12(29-33(30,31)19-23-6-7-32-19)13(21)15(11)28-17-10(2-1-5-22-17)14-16-18(26-8-24-14)27-9-25-16/h1-9,29H,(H,22,28)(H,24,25,26,27)
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| InChIKey |
XKEIGURBFSAWSQ-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