General Information of the Compound
| Compound ID |
CP0958449
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| Compound Name |
2-(5-difluoromethyl-furan-2-yl)-6-(4,4-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(CN3CCC(F)(F)CC3)cc12
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| InChI |
InChI=1S/C17H16F4N4OS/c18-13(19)11-1-2-12(26-11)15-23-14(22)10-7-9(27-16(10)24-15)8-25-5-3-17(20,21)4-6-25/h1-2,7,13H,3-6,8H2,(H2,22,23,24)
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| InChIKey |
SJOVJIZDIQLXHK-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