General Information of the Compound
| Compound ID |
CP0576865
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| Compound Name |
4-[[7-(2,6-difluorophenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C21H20F2N6O3S
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| Molecular Weight |
474.493
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(N(C)c3n2)c2c(F)cccc2F)cc1
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| InChI |
InChI=1S/C21H20F2N6O3S/c1-24-33(31,32)13-9-7-12(8-10-13)26-21-25-11-16-19(27-21)29(3)18(20(30)28(16)2)17-14(22)5-4-6-15(17)23/h4-11,18,24H,1-3H3,(H,25,26,27)
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| InChIKey |
PQTBLIXZCZMNDY-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