General Information of the Compound
| Compound ID |
CP0946688
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| Compound Name |
2-(5-difluoromethyl-furan-2-yl)-6-(3,3-difluoropiperidin-1-ylmethyl)-thieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C17H16F4N4OS
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| Molecular Weight |
400.401
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| Canonical SMILES |
Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCCC(F)(F)C3)cc12
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| InChI |
InChI=1S/C17H16F4N4OS/c18-13(19)11-2-3-12(26-11)15-23-14(22)10-6-9(27-16(10)24-15)7-25-5-1-4-17(20,21)8-25/h2-3,6,13H,1,4-5,7-8H2,(H2,22,23,24)
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| InChIKey |
DQLLJWUSZBDRSA-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