General Information of the Compound
| Compound ID |
CP0402921
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| Compound Name |
2-(7-amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
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| Structure |
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| Formula |
C15H11N5OS
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| Molecular Weight |
309.354
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| Canonical SMILES |
Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1cccs1
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| InChI |
InChI=1S/C15H11N5OS/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18)
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| InChIKey |
CKHUVQWKDJVMTD-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: PT01279, Adenosine receptor A3