General Information of the Compound
| Compound ID |
CP0400041
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| Compound Name |
2-(Phenyl)-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 |
C13H11N7
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| Molecular Weight |
265.28
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| Canonical SMILES |
Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccccc1
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| InChI |
InChI=1S/C13H11N7/c1-19-7-9-11(17-19)16-13(14)20-12(9)15-10(18-20)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,16,17)
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| InChIKey |
QTXRPASVXQWVIQ-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