General Information of the Compound
| Compound ID |
CP0496979
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| Compound Name |
(4-methoxyphenyl)(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
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| Structure |
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| Formula |
C20H16N4O2S
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| Molecular Weight |
376.441
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1nc(NCc2cccnc2)nc2ccsc12
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| InChI |
InChI=1S/C20H16N4O2S/c1-26-15-6-4-14(5-7-15)18(25)17-19-16(8-10-27-19)23-20(24-17)22-12-13-3-2-9-21-11-13/h2-11H,12H2,1H3,(H,22,23,24)
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| InChIKey |
UGWBEJYDDMKSAG-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