General Information of the Compound
| Compound ID |
CP0500972
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| Compound Name |
8-[3-(2-Diethylaminoethoxy)phenyl]-1,3-dimethylxanthine
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| Structure |
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| Formula |
C19H25N5O3
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| Molecular Weight |
371.441
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| Canonical SMILES |
CCN(CC)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C19H25N5O3/c1-5-24(6-2)10-11-27-14-9-7-8-13(12-14)16-20-15-17(21-16)22(3)19(26)23(4)18(15)25/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21)
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| InChIKey |
JLZWWVVRMVULIU-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