General Information of the Compound
| Compound ID |
CP0579960
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| Compound Name |
4-[[7-(2,6-difluorophenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C20H18F2N6O3S
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| Molecular Weight |
460.466
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| Canonical SMILES |
CN1C(C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)c1c(F)cccc1F
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| InChI |
InChI=1S/C20H18F2N6O3S/c1-27-15-10-24-20(25-11-6-8-12(9-7-11)32(23,30)31)26-18(15)28(2)17(19(27)29)16-13(21)4-3-5-14(16)22/h3-10,17H,1-2H3,(H2,23,30,31)(H,24,25,26)
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| InChIKey |
OOEJZUUVEWCSEG-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