General Information of the Compound
| Compound ID |
CP0910460
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| Compound Name |
6-(4-fluoro-piperidin-1-ylmethyl)-2-(3-methoxyphenyl)-thieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C19H21FN4OS
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| Molecular Weight |
372.469
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| Canonical SMILES |
COc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1
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| InChI |
InChI=1S/C19H21FN4OS/c1-25-14-4-2-3-12(9-14)18-22-17(21)16-10-15(26-19(16)23-18)11-24-7-5-13(20)6-8-24/h2-4,9-10,13H,5-8,11H2,1H3,(H2,21,22,23)
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| InChIKey |
QWQFGAWZZRDXJZ-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