General Information of the Compound
| Compound ID |
CP0447391
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| Compound Name |
(5-methylfuran-2-yl)(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
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| Structure |
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| Formula |
C18H14N4O2S
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| Molecular Weight |
350.403
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| Canonical SMILES |
Cc1ccc(o1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12
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| InChI |
InChI=1S/C18H14N4O2S/c1-11-4-5-14(24-11)16(23)15-17-13(6-8-25-17)21-18(22-15)20-10-12-3-2-7-19-9-12/h2-9H,10H2,1H3,(H,20,21,22)
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| InChIKey |
VVZRKEKBQLITNW-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