General Information of the Compound
| Compound ID |
CP0576860
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| Compound Name |
4-[[7-(2-methoxyphenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C21H22N6O4S
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| Molecular Weight |
454.512
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| Canonical SMILES |
COc1ccccc1C1N(C)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O
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| InChI |
InChI=1S/C21H22N6O4S/c1-26-16-12-23-21(24-13-8-10-14(11-9-13)32(22,29)30)25-19(16)27(2)18(20(26)28)15-6-4-5-7-17(15)31-3/h4-12,18H,1-3H3,(H2,22,29,30)(H,23,24,25)
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| InChIKey |
DJJPACQAMNWGMF-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