General Information of the Compound
| Compound ID |
CP0732544
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| Compound Name |
N-(2,4-Difluoro-3-(3-(6-(methylamino)pyrimidin-4-yl)-ureido)phenyl)propane-1-sulfonamide
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| Structure |
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| Formula |
C15H18F2N6O3S
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| Molecular Weight |
400.411
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2cc(NC)ncn2)c1F
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| InChI |
InChI=1S/C15H18F2N6O3S/c1-3-6-27(25,26)23-10-5-4-9(16)14(13(10)17)22-15(24)21-12-7-11(18-2)19-8-20-12/h4-5,7-8,23H,3,6H2,1-2H3,(H3,18,19,20,21,22,24)
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| InChIKey |
HYUUFSNRHUEFLM-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