General Information of the Compound
| Compound ID |
CP0482063
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| Compound Name |
3-(2,2-difluoroethoxy)-N-[2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C22H23F2N3O5S
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| Molecular Weight |
479.505
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| Canonical SMILES |
CC(C)(NS(=O)(=O)c1cccc(OCC(F)F)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
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| InChI |
InChI=1S/C22H23F2N3O5S/c1-22(2,26-33(30,31)18-5-3-4-17(12-18)32-14-19(23)24)16-8-6-15(7-9-16)13-27-11-10-20(28)25-21(27)29/h3-12,19,26H,13-14H2,1-2H3,(H,25,28,29)
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| InChIKey |
PJMQAAODTUCLHG-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