General Information of the Compound
| Compound ID |
CP0579541
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| Compound Name |
4-[(7-benzyl-5,8-dimethyl-6-oxo-7H-pteridin-2-yl)amino]benzenesulfonamide
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| Structure |
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| Formula |
C21H22N6O3S
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| Molecular Weight |
438.513
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| Canonical SMILES |
CN1C(Cc2ccccc2)C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
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| InChI |
InChI=1S/C21H22N6O3S/c1-26-17(12-14-6-4-3-5-7-14)20(28)27(2)18-13-23-21(25-19(18)26)24-15-8-10-16(11-9-15)31(22,29)30/h3-11,13,17H,12H2,1-2H3,(H2,22,29,30)(H,23,24,25)
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| InChIKey |
UHRBGPCLRYHQHV-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