General Information of the Compound
| Compound ID |
CP0543268
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| Compound Name |
4-[[7-(2-ethylphenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C22H24N6O3S
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| Molecular Weight |
452.54
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| Canonical SMILES |
CCc1ccccc1C1N(C)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O
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| InChI |
InChI=1S/C22H24N6O3S/c1-4-14-7-5-6-8-17(14)19-21(29)27(2)18-13-24-22(26-20(18)28(19)3)25-15-9-11-16(12-10-15)32(23,30)31/h5-13,19H,4H2,1-3H3,(H2,23,30,31)(H,24,25,26)
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| InChIKey |
VRCNNYPLFDGVCU-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