General Information of the Compound
| Compound ID |
CP0408894
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| Compound Name |
4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzoic acid ethyl ester
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| Structure |
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| Formula |
C22H21N7O3
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| Molecular Weight |
431.456
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| Canonical SMILES |
CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
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| InChI |
InChI=1S/C22H21N7O3/c1-2-31-21(30)15-9-7-14(8-10-15)5-3-11-28-19-16(13-24-28)20-25-18(17-6-4-12-32-17)27-29(20)22(23)26-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,23,26)
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| InChIKey |
ONKVOHAWCUQFLD-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