General Information of the Compound
| Compound ID |
CP0946689
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| Compound Name |
6-(4,4-difluoro-piperidin-1-ylmethyl)-2-furan-2-yl-thieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C16H16F2N4OS
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| Molecular Weight |
350.394
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| Canonical SMILES |
Nc1nc(-c2ccco2)nc2sc(CN3CCC(F)(F)CC3)cc12
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| InChI |
InChI=1S/C16H16F2N4OS/c17-16(18)3-5-22(6-4-16)9-10-8-11-13(19)20-14(21-15(11)24-10)12-2-1-7-23-12/h1-2,7-8H,3-6,9H2,(H2,19,20,21)
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| InChIKey |
FQKBLTSUJQOBHC-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