General Information of the Compound
| Compound ID |
CP0875487
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| Compound Name |
2-((5-Chlorothiophen-2-yl)ethynyl)-N-methyl-9H-purin-6-amine
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| Structure |
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| Formula |
C12H8ClN5S
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| Molecular Weight |
289.751
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| Canonical SMILES |
CNc1nc(C#Cc2ccc(Cl)s2)nc2[nH]cnc12
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| InChI |
InChI=1S/C12H8ClN5S/c1-14-11-10-12(16-6-15-10)18-9(17-11)5-3-7-2-4-8(13)19-7/h2,4,6H,1H3,(H2,14,15,16,17,18)
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| InChIKey |
BNUJLSQRUVGRCP-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3