General Information of the Compound
| Compound ID |
CP0849555
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| Compound Name |
3-[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#Cc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1
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| InChI |
InChI=1S/C19H18FN5S/c20-14-4-6-25(7-5-14)11-15-9-16-17(22)23-18(24-19(16)26-15)13-3-1-2-12(8-13)10-21/h1-3,8-9,14H,4-7,11H2,(H2,22,23,24)
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| InChIKey |
VNMVGOWYLMWQSX-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