General Information of the Compound
| Compound ID |
CP0856397
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| Compound Name |
2-benzofuran-2-yl-6-(4-fluoropiperdin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C20H19FN4OS
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| Molecular Weight |
382.464
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| Canonical SMILES |
Nc1nc(-c2cc3ccccc3o2)nc2sc(CN3CCC(F)CC3)cc12
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| InChI |
InChI=1S/C20H19FN4OS/c21-13-5-7-25(8-6-13)11-14-10-15-18(22)23-19(24-20(15)27-14)17-9-12-3-1-2-4-16(12)26-17/h1-4,9-10,13H,5-8,11H2,(H2,22,23,24)
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| InChIKey |
FCGAKHXBRHDRBH-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