General Information of the Compound
| Compound ID |
CP0534165
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| Compound Name |
(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetic acid
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| Structure |
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| Formula |
C9H10N4O4
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| Molecular Weight |
238.203
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| Canonical SMILES |
Cn1cnc2n(C)c(=O)n(CC(O)=O)c(=O)c12
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| InChI |
InChI=1S/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15)
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| InChIKey |
YCTSCXLOPJCPDH-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