General Information of the Compound
| Compound ID |
CP0579597
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| Compound Name |
4-[[7-(3-fluoro-2-methylphenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C21H21FN6O3S
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| Molecular Weight |
456.503
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| Canonical SMILES |
CN1C(C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)c1cccc(F)c1C
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| InChI |
InChI=1S/C21H21FN6O3S/c1-12-15(5-4-6-16(12)22)18-20(29)27(2)17-11-24-21(26-19(17)28(18)3)25-13-7-9-14(10-8-13)32(23,30)31/h4-11,18H,1-3H3,(H2,23,30,31)(H,24,25,26)
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| InChIKey |
NILIZWLZZUWQHE-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