General Information of the Compound
| Compound ID |
CP0401592
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| Compound Name |
3-(furan-2-ylmethyl)-1-prop-2-ynyl-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C18H14N4O3S
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| Molecular Weight |
366.402
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| Canonical SMILES |
O=c1n(Cc2ccco2)c2nc(Cc3cccs3)[nH]c2c(=O)n1CC#C
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| InChI |
InChI=1S/C18H14N4O3S/c1-2-7-21-17(23)15-16(20-14(19-15)10-13-6-4-9-26-13)22(18(21)24)11-12-5-3-8-25-12/h1,3-6,8-9H,7,10-11H2,(H,19,20)
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| InChIKey |
PGYIIWBQROMXCJ-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