General Information of the Compound
| Compound ID |
CP0121975
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| Compound Name |
US9216981, 21
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| Structure |
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| Formula |
C20H18F2N8O3S
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| Molecular Weight |
488.48
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)N2CCOCC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C20H18F2N8O3S/c21-13-3-4-14(29-34(31,32)30-6-8-33-9-7-30)15(22)17(13)28-19-12(2-1-5-23-19)16-18-20(26-10-24-16)27-11-25-18/h1-5,10-11,29H,6-9H2,(H,23,28)(H,24,25,26,27)
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| InChIKey |
PVLBWLQBZCGLQR-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