General Information of the Compound
| Compound ID |
CP0240291
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| Compound Name |
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide
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| Structure |
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| Formula |
C18H12F5N7O2S
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| Molecular Weight |
485.398
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)CC(F)(F)F)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C18H12F5N7O2S/c19-10-3-4-11(30-33(31,32)6-18(21,22)23)12(20)14(10)29-16-9(2-1-5-24-16)13-15-17(27-7-25-13)28-8-26-15/h1-5,7-8,30H,6H2,(H,24,29)(H,25,26,27,28)
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| InChIKey |
PWEHFDUGZVTNNL-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