General Information of the Compound
| Compound ID |
CP0497244
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| Compound Name |
8-{4-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C26H25ClN6O4
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| Molecular Weight |
520.977
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C26H25ClN6O4/c1-3-12-32-23-21(25(34)33(13-4-2)26(32)35)29-22(30-23)16-8-10-19(11-9-16)36-15-20-28-24(37-31-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)
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| InChIKey |
NPHDEJSDZKQEKG-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a