General Information of the Compound
| Compound ID |
CP0420796
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| Compound Name |
Acetic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester
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| Structure |
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| Formula |
C11H14N4O4
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| Molecular Weight |
266.257
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| Canonical SMILES |
CC(=O)OCCn1cnc2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C11H14N4O4/c1-7(16)19-5-4-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3
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| InChIKey |
CQKZJBMFMGGBHJ-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