General Information of the Compound
| Compound ID |
CP0378956
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| Compound Name |
3-[4-amino-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
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| Structure |
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| Formula |
C21H16N4S
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| Molecular Weight |
356.454
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| Canonical SMILES |
CC(c1cc2c(N)nc(nc2s1)-c1cccc(c1)C#N)c1ccccc1
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| InChI |
InChI=1S/C21H16N4S/c1-13(15-7-3-2-4-8-15)18-11-17-19(23)24-20(25-21(17)26-18)16-9-5-6-14(10-16)12-22/h2-11,13H,1H3,(H2,23,24,25)
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| InChIKey |
DSUOREHBHQCFIO-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