General Information of the Compound
| Compound ID |
CP0929329
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| Compound Name |
(2-{2-[2-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]-triazolo[1,5-c]pyrimidin-5-ylamino)ethoxy]ethoxy}ethyl)carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C22H30N8O5
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| Molecular Weight |
486.533
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| Canonical SMILES |
Cn1cc2c(nc(NCCOCCOCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1
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| InChI |
InChI=1S/C22H30N8O5/c1-22(2,3)35-21(31)24-8-11-33-13-12-32-10-7-23-20-26-17-15(14-29(4)27-17)19-25-18(28-30(19)20)16-6-5-9-34-16/h5-6,9,14H,7-8,10-13H2,1-4H3,(H,24,31)(H,23,26,27)
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| InChIKey |
YSALKXWENFQKKA-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