General Information of the Compound
| Compound ID |
CP0436060
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| Compound Name |
3-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzonitrile
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| Structure |
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| Formula |
C16H9N5OS
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| Molecular Weight |
319.349
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| Canonical SMILES |
Nc1nc(nc2sc(nc12)-c1ccco1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C16H9N5OS/c17-8-9-3-1-4-10(7-9)14-20-13(18)12-16(21-14)23-15(19-12)11-5-2-6-22-11/h1-7H,(H2,18,20,21)
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| InChIKey |
YYGJUIJNQLTDIF-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
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3