General Information of the Compound
| Compound ID |
CP0399315
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| Compound Name |
6-(2-Furyl)-2,4dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl hydrogen sulfate
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| Structure |
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| Formula |
C16H19N3O7S
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| Molecular Weight |
397.409
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| Canonical SMILES |
CCCn1c2c(OS(O)(=O)=O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
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| InChI |
InChI=1S/C16H19N3O7S/c1-3-7-18-13-12(15(20)19(8-4-2)16(18)21)17-11(10-6-5-9-25-10)14(13)26-27(22,23)24/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,22,23,24)
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| InChIKey |
OFVGDJVBVLQLLD-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