General Information of the Compound
| Compound ID |
CP0503395
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| Compound Name |
1-Methoxymethyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C9H12N4O3
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| Molecular Weight |
224.22
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| Canonical SMILES |
COCn1c(=O)n(C)c2ncn(C)c2c1=O
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| InChI |
InChI=1S/C9H12N4O3/c1-11-4-10-7-6(11)8(14)13(5-16-3)9(15)12(7)2/h4H,5H2,1-3H3
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| InChIKey |
SYIQVVGQZVICIK-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