General Information of the Compound
| Compound ID |
CP0452607
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| Compound Name |
3-(furan-2-ylmethyl)-1-(2-methoxyethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione
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| Structure |
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| Formula |
C19H20N4O4S
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| Molecular Weight |
400.46
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| Canonical SMILES |
COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
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| InChI |
InChI=1S/C19H20N4O4S/c1-21-15(11-14-6-4-10-28-14)20-17-16(21)18(24)22(7-9-26-2)19(25)23(17)12-13-5-3-8-27-13/h3-6,8,10H,7,9,11-12H2,1-2H3
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| InChIKey |
GXOOFWBKWUTYIY-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b