General Information of the Compound
| Compound ID |
CP0849570
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| Compound Name |
3-(4-amino-6-((4-fluoropiperidin-1-yl)methyl)thieno[2,3-d]pyrimidin-2-yl)-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C21H24FN5OS
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| Molecular Weight |
413.522
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| Canonical SMILES |
CN(C)C(=O)c1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1
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| InChI |
InChI=1S/C21H24FN5OS/c1-26(2)21(28)14-5-3-4-13(10-14)19-24-18(23)17-11-16(29-20(17)25-19)12-27-8-6-15(22)7-9-27/h3-5,10-11,15H,6-9,12H2,1-2H3,(H2,23,24,25)
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| InChIKey |
LBWAFIRGJIWRIW-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