General Information of the Compound
| Compound ID |
CP0506236
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| Compound Name |
2-(4-Chlorophenyl)-8-methylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine
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| Structure |
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| Formula |
C13H10ClN7
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| Molecular Weight |
299.725
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| Canonical SMILES |
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C13H10ClN7/c1-20-6-9-11(18-20)17-13(15)21-12(9)16-10(19-21)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,15,17,18)
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| InChIKey |
PITCNLCEBRHIAU-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