General Information of the Compound
| Compound ID |
CP0394625
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| Compound Name |
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-5-(methylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C19H18N6O3
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| Molecular Weight |
378.392
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| Canonical SMILES |
CNc1ncc(C(=O)NCc2ccc(OC)cc2)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C19H18N6O3/c1-20-19-22-11-14(17-23-16(24-25(17)19)15-4-3-9-28-15)18(26)21-10-12-5-7-13(27-2)8-6-12/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,26)
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| InChIKey |
ZYXGKENMDDPQIE-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