General Information of the Compound
| Compound ID |
CP0470886
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| Compound Name |
1-ethyl-3,8-bis(thiophen-2-ylmethyl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C17H16N4O2S2
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| Molecular Weight |
372.475
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| Canonical SMILES |
CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)[nH]c2c1=O
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| InChI |
InChI=1S/C17H16N4O2S2/c1-2-20-16(22)14-15(19-13(18-14)9-11-5-3-7-24-11)21(17(20)23)10-12-6-4-8-25-12/h3-8H,2,9-10H2,1H3,(H,18,19)
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| InChIKey |
RRZLRRTWZKEJME-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
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3