General Information of the Compound
| Compound ID |
CP0419834
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| Compound Name |
5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C20H20N6O4
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| Molecular Weight |
408.418
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| Canonical SMILES |
CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1
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| InChI |
InChI=1S/C20H20N6O4/c1-21-19(27)13-11-23-20(22-10-12-6-7-14(28-2)16(9-12)29-3)26-18(13)24-17(25-26)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,27)(H,22,23)
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| InChIKey |
MZKHULNXFMYXHQ-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