General Information of the Compound
| Compound ID |
CP0522546
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| Compound Name |
8-[3-(2-Diethylaminoethoxy)-4-methoxyphenyl]-1,3-dimethylxanthine
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| Structure |
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| Formula |
C20H27N5O4
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| Molecular Weight |
401.467
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| Canonical SMILES |
CCN(CC)CCOc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C20H27N5O4/c1-6-25(7-2)10-11-29-15-12-13(8-9-14(15)28-5)17-21-16-18(22-17)23(3)20(27)24(4)19(16)26/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22)
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| InChIKey |
HPJQLBQUFRMPSW-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