General Information of the Compound
| Compound ID |
CP0579543
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| Compound Name |
4-[[7-(2,6-difluorophenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C22H22F2N6O3S
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| Molecular Weight |
488.52
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(N(C)c3n2)c2c(F)cccc2F)cc1
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| InChI |
InChI=1S/C22H22F2N6O3S/c1-28(2)34(32,33)14-10-8-13(9-11-14)26-22-25-12-17-20(27-22)30(4)19(21(31)29(17)3)18-15(23)6-5-7-16(18)24/h5-12,19H,1-4H3,(H,25,26,27)
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| InChIKey |
KTFFTWORKWNCKI-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