General Information of the Compound
| Compound ID |
CP0374224
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| Compound Name |
4-(1-Methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid
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| Structure |
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| Formula |
C12H10N4O5S
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| Molecular Weight |
322.302
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| Canonical SMILES |
Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
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| InChI |
InChI=1S/C12H10N4O5S/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)6-2-4-7(5-3-6)22(19,20)21/h2-5H,1H3,(H,13,14)(H,15,18)(H,19,20,21)
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| InChIKey |
CHPRNZLPZFCTIM-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