General Information of the Compound
| Compound ID |
CP0883984
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| Compound Name |
2-((5-Chlorothiophen-2-yl)ethynyl)-N-propyl-9H-purin-6-amine
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| Structure |
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| Formula |
C14H12ClN5S
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| Molecular Weight |
317.805
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| Canonical SMILES |
CCCNc1nc(C#Cc2ccc(Cl)s2)nc2[nH]cnc12
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| InChI |
InChI=1S/C14H12ClN5S/c1-2-7-16-13-12-14(18-8-17-12)20-11(19-13)6-4-9-3-5-10(15)21-9/h3,5,8H,2,7H2,1H3,(H2,16,17,18,19,20)
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| InChIKey |
UOQQUIRKJNHOCW-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: PT01279, Adenosine receptor A3
Protein ID: PT04903, Sigma intracellular receptor 2