General Information of the Compound
| Compound ID |
CP0420787
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| Compound Name |
2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid
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| Structure |
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| Formula |
C14H12N4O4
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| Molecular Weight |
300.274
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| Canonical SMILES |
Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-5-3-4-6-8(7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)
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| InChIKey |
BBISNWCHHLHHHN-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