General Information of the Compound
| Compound ID |
CP0579715
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| Compound Name |
4-[[5,8-dimethyl-7-(2-methylphenyl)-6-oxo-7H-pteridin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C23H26N6O3S
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| Molecular Weight |
466.567
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)C(N(C)c3n2)c2ccccc2C)cc1
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| InChI |
InChI=1S/C23H26N6O3S/c1-15-8-6-7-9-18(15)20-22(30)28(4)19-14-24-23(26-21(19)29(20)5)25-16-10-12-17(13-11-16)33(31,32)27(2)3/h6-14,20H,1-5H3,(H,24,25,26)
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| InChIKey |
VWBFNOGHUPVLGI-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