General Information of the Compound
| Compound ID |
CP0376263
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| Compound Name |
6-[2-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoroanilino]pyridin-3-yl]-7H-purine
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| Structure |
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| Formula |
C19H18F2N8O2S
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| Molecular Weight |
460.47
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| Canonical SMILES |
CCN(C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C19H18F2N8O2S/c1-3-29(2)32(30,31)28-13-7-6-12(20)16(14(13)21)27-18-11(5-4-8-22-18)15-17-19(25-9-23-15)26-10-24-17/h4-10,28H,3H2,1-2H3,(H,22,27)(H,23,24,25,26)
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| InChIKey |
AFSMOIAGUMMQNG-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