General Information of the Compound
| Compound ID |
CP0474765
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| Compound Name |
1,3-Dimethyl-8-[3-methoxy-4-(2-morpholin-4-ylethoxy)-phenylxanthine
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| Structure |
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| Formula |
C20H25N5O5
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| Molecular Weight |
415.45
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C20H25N5O5/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-4-5-14(15(12-13)28-3)30-11-8-25-6-9-29-10-7-25/h4-5,12H,6-11H2,1-3H3,(H,21,22)
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| InChIKey |
SLGNGDDFVGQQPR-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