General Information of the Compound
| Compound ID |
CP0381545
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| Compound Name |
5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile
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| Structure |
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| Formula |
C18H12N4OS
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| Molecular Weight |
332.388
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| Canonical SMILES |
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1ccc(o1)C#N
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| InChI |
InChI=1S/C18H12N4OS/c19-10-12-6-7-15(23-12)17-21-16(20)14-9-13(24-18(14)22-17)8-11-4-2-1-3-5-11/h1-7,9H,8H2,(H2,20,21,22)
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| InChIKey |
CRBRCZHPLVWUME-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