General Information of the Compound
| Compound ID |
CP0929330
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| Compound Name |
N-((4-(Aminomethyl)cyclohexyl)methyl)-2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5yl-ammonium chloride
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| Structure |
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| Formula |
C19H25ClN8O
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| Molecular Weight |
416.917
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| Canonical SMILES |
Cl.Cn1cc2c(nc(NCC3CCC(CN)CC3)n3nc(-c4ccco4)nc23)n1
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| InChI |
InChI=1S/C19H24N8O.ClH/c1-26-11-14-16(24-26)23-19(21-10-13-6-4-12(9-20)5-7-13)27-18(14)22-17(25-27)15-3-2-8-28-15;/h2-3,8,11-13H,4-7,9-10,20H2,1H3,(H,21,23,24);1H
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| InChIKey |
CPZBOFFLEUDWJN-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