General Information of the Compound
| Compound ID |
CP0281098
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| Compound Name |
8-(3,5-Dihydroxy-4-methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C18H22N4O5
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| Molecular Weight |
374.397
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(O)c(OC)c(O)c1
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| InChI |
InChI=1S/C18H22N4O5/c1-4-6-21-16-13(17(25)22(7-5-2)18(21)26)19-15(20-16)10-8-11(23)14(27-3)12(24)9-10/h8-9,23-24H,4-7H2,1-3H3,(H,19,20)
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| InChIKey |
MMJYQLHNQCSWJW-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: PT01717, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b