General Information of the Compound
| Compound ID |
CP0422930
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| Compound Name |
6-(4-hydroxyphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C15H15N5O3
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| Molecular Weight |
313.317
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| Canonical SMILES |
Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C15H15N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h3-6,21H,7-8H2,1-2H3
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| InChIKey |
JIQSWTJUHBHICU-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
Protein ID: PT05453, G-protein coupled receptor 55
Protein ID: PT06110, N-arachidonyl glycine receptor