General Information of the Compound
| Compound ID |
CP0501820
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| Compound Name |
8-[4-(2-Dimethylaminoethoxy)-3-methoxyphenyl]-1,3-dimethylxanthine
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| Structure |
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| Formula |
C18H23N5O4
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| Molecular Weight |
373.413
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| Canonical SMILES |
COc1cc(ccc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C18H23N5O4/c1-21(2)8-9-27-12-7-6-11(10-13(12)26-5)15-19-14-16(20-15)22(3)18(25)23(4)17(14)24/h6-7,10H,8-9H2,1-5H3,(H,19,20)
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| InChIKey |
SVMXCMXOKKBEET-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