General Information of the Compound
| Compound ID |
CP0849565
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| Compound Name |
2-[4-amino-6-(4-fluoro-piperidin-1-ylmethyl)-thieno[2,3-d]pyrimidin-2-yl]-benzonitrile
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| Structure |
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| Formula |
C19H18FN5S
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| Molecular Weight |
367.453
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| Canonical SMILES |
N#Cc1ccccc1-c1nc(N)c2cc(CN3CCC(F)CC3)sc2n1
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| InChI |
InChI=1S/C19H18FN5S/c20-13-5-7-25(8-6-13)11-14-9-16-17(22)23-18(24-19(16)26-14)15-4-2-1-3-12(15)10-21/h1-4,9,13H,5-8,11H2,(H2,22,23,24)
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| InChIKey |
PSCRTJGQNSAVHU-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