General Information of the Compound
| Compound ID |
CP0439130
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| Compound Name |
3-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
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| Structure |
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| Formula |
C20H14N4S
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| Molecular Weight |
342.427
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| Canonical SMILES |
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C20H14N4S/c21-12-14-7-4-8-15(9-14)19-23-18(22)17-11-16(25-20(17)24-19)10-13-5-2-1-3-6-13/h1-9,11H,10H2,(H2,22,23,24)
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| InChIKey |
KJFGCCBQFGTIJE-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