General Information of the Compound
| Compound ID |
CP0134022
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| Compound Name |
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C17H13F2N7O2S
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| Molecular Weight |
417.401
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C17H13F2N7O2S/c1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h2-8,26H,1H3,(H,20,25)(H,21,22,23,24)
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| InChIKey |
WCNKFDYACPTVPO-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