General Information of the Compound
| Compound ID |
CP0880226
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| Compound Name |
2-(5-difluoromethyl-furan-2-yl)-6-morpholin-4-ylmethyl-thieno[2,3-d]pyrimidin-4-ylamine
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| Structure |
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| Formula |
C16H16F2N4O2S
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| Molecular Weight |
366.393
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| Canonical SMILES |
Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCOCC3)cc12
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| InChI |
InChI=1S/C16H16F2N4O2S/c17-13(18)11-1-2-12(24-11)15-20-14(19)10-7-9(25-16(10)21-15)8-22-3-5-23-6-4-22/h1-2,7,13H,3-6,8H2,(H2,19,20,21)
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| InChIKey |
RLAIROREOVIRRA-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