General Information of the Compound
| Compound ID |
CP0090716
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| Compound Name |
US9216981, 30
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| Structure |
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| Formula |
C21H14F2N8O2S
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| Molecular Weight |
480.46
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2cccnc2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C21H14F2N8O2S/c22-14-5-6-15(31-34(32,33)12-3-1-7-24-9-12)16(23)18(14)30-20-13(4-2-8-25-20)17-19-21(28-10-26-17)29-11-27-19/h1-11,31H,(H,25,30)(H,26,27,28,29)
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| InChIKey |
JTESGLUEGOKQOX-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