General Information of the Compound
| Compound ID |
CP0487506
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| Compound Name |
2-(2-Ethoxy-phenyl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
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| Structure |
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| Formula |
C22H21N7O
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| Molecular Weight |
399.458
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| Canonical SMILES |
CCOc1ccccc1-c1nc2c3cnn(CCc4ccccc4)c3nc(N)n2n1
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| InChI |
InChI=1S/C22H21N7O/c1-2-30-18-11-7-6-10-16(18)19-25-21-17-14-24-28(13-12-15-8-4-3-5-9-15)20(17)26-22(23)29(21)27-19/h3-11,14H,2,12-13H2,1H3,(H2,23,26)
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| InChIKey |
XYZIYVQZMNJYBH-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