General Information of the Compound
| Compound ID |
CP0898637
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| Compound Name |
6-((4-fluoropiperidin-1-yl)methyl)-2-(3-(trifluoromethyl)phenyl)thieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H18F4N4S
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| Molecular Weight |
410.44
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| Canonical SMILES |
Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(CN3CCC(F)CC3)cc12
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| InChI |
InChI=1S/C19H18F4N4S/c20-13-4-6-27(7-5-13)10-14-9-15-16(24)25-17(26-18(15)28-14)11-2-1-3-12(8-11)19(21,22)23/h1-3,8-9,13H,4-7,10H2,(H2,24,25,26)
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| InChIKey |
UMNXUNOTCQHTKC-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