General Information of the Compound
| Compound ID |
CP0544911
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| Compound Name |
4-[[5,8-dimethyl-6-oxo-7-[3-(trifluoromethyl)phenyl]-7H-pteridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C21H19F3N6O3S
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| Molecular Weight |
492.483
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| Canonical SMILES |
CN1C(C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H19F3N6O3S/c1-29-16-11-26-20(27-14-6-8-15(9-7-14)34(25,32)33)28-18(16)30(2)17(19(29)31)12-4-3-5-13(10-12)21(22,23)24/h3-11,17H,1-2H3,(H2,25,32,33)(H,26,27,28)
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| InChIKey |
JKEDJLAQNIVVBW-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