General Information of the Compound
| Compound ID |
CP0421614
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| Compound Name |
7-(2-chlorophenyl)sulfonyl-1,3-dimethylpurine-2,6-dione
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| Formula |
C13H11ClN4O4S
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| Molecular Weight |
354.775
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| Canonical SMILES |
Cn1c2ncn(c2c(=O)n(C)c1=O)S(=O)(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C13H11ClN4O4S/c1-16-11-10(12(19)17(2)13(16)20)18(7-15-11)23(21,22)9-6-4-3-5-8(9)14/h3-7H,1-2H3
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| InChIKey |
MCYWOONFRNWUPP-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