General Information of the Compound
| Compound ID |
CP0376058
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-N-(9-ethylamino-2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-acetamide
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| Structure |
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| Formula |
C22H20N8O4
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| Molecular Weight |
460.454
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| Canonical SMILES |
CCNc1n(C)nc2nc(NC(=O)Cc3ccc4OCOc4c3)n3nc(nc3c12)-c1ccco1
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| InChI |
InChI=1S/C22H20N8O4/c1-3-23-20-17-19(27-29(20)2)26-22(30-21(17)25-18(28-30)14-5-4-8-32-14)24-16(31)10-12-6-7-13-15(9-12)34-11-33-13/h4-9,23H,3,10-11H2,1-2H3,(H,24,26,27,31)
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| InChIKey |
LFBRGRYXSNFOQV-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