General Information of the Compound
| Compound ID |
CP0416700
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| Compound Name |
(3-methylphenyl)methyl 2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
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| Structure |
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| Formula |
C19H17N5O3
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| Molecular Weight |
363.377
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| Canonical SMILES |
CNc1ncc(C(=O)OCc2cccc(C)c2)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C19H17N5O3/c1-12-5-3-6-13(9-12)11-27-18(25)14-10-21-19(20-2)24-17(14)22-16(23-24)15-7-4-8-26-15/h3-10H,11H2,1-2H3,(H,20,21)
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| InChIKey |
DBMSSTATMGSYKN-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