General Information of the Compound
| Compound ID |
CP0902329
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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-ammonium chloride
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| Structure |
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| Formula |
C17H23ClN8O3
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| Molecular Weight |
422.877
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| Canonical SMILES |
Cl.Cn1cc2c(nc(NCCOCCOCCN)n3nc(-c4ccco4)nc23)n1
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| InChI |
InChI=1S/C17H22N8O3.ClH/c1-24-11-12-14(22-24)21-17(19-5-8-27-10-9-26-7-4-18)25-16(12)20-15(23-25)13-3-2-6-28-13;/h2-3,6,11H,4-5,7-10,18H2,1H3,(H,19,21,22);1H
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| InChIKey |
DIBVMJBGJVNNPG-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