General Information of the Compound
| Compound ID |
CP0959023
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| Compound Name |
6-(((2R,6S)-2,6-dimethylpiperidin-1-yl)methyl)-2-(5-isopropylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H28N4OS
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| Molecular Weight |
384.549
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| Canonical SMILES |
CC(C)c1ccc(-c2nc(N)c3cc(CN4[C@H](C)CCC[C@@H]4C)sc3n2)o1
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| InChI |
InChI=1S/C21H28N4OS/c1-12(2)17-8-9-18(26-17)20-23-19(22)16-10-15(27-21(16)24-20)11-25-13(3)6-5-7-14(25)4/h8-10,12-14H,5-7,11H2,1-4H3,(H2,22,23,24)/t13-,14+
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| InChIKey |
REEADPXWNDGNRR-OKILXGFUSA-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