General Information of the Compound
| Compound ID |
CP0943821
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| Compound Name |
[3-(2-{2-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamino)propoxy]ethoxy}ethoxy)propyl]carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C26H38N8O6
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| Molecular Weight |
558.64
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| Canonical SMILES |
Cn1cc2c(nc(NCCCOCCOCCOCCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1
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| InChI |
InChI=1S/C26H38N8O6/c1-26(2,3)40-25(35)28-10-7-12-37-15-17-38-16-14-36-11-6-9-27-24-30-21-19(18-33(4)31-21)23-29-22(32-34(23)24)20-8-5-13-39-20/h5,8,13,18H,6-7,9-12,14-17H2,1-4H3,(H,28,35)(H,27,30,31)
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| InChIKey |
ZYQJMXBLKSAHAS-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