General Information of the Compound
| Compound ID |
CP0098453
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| Compound Name |
US9216981, 19
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| Structure |
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| Formula |
C19H15F2N7O2S
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| Molecular Weight |
443.439
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)C2CC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C19H15F2N7O2S/c20-12-5-6-13(28-31(29,30)10-3-4-10)14(21)16(12)27-18-11(2-1-7-22-18)15-17-19(25-8-23-15)26-9-24-17/h1-2,5-10,28H,3-4H2,(H,22,27)(H,23,24,25,26)
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| InChIKey |
SMMQTLKZQUWOFV-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