General Information of the Compound
| Compound ID |
CP0411867
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| Compound Name |
ethyl 2-(furan-2-yl)-5-[(2-phenylacetyl)amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
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| Structure |
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| Formula |
C20H17N5O4
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| Molecular Weight |
391.387
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| Canonical SMILES |
CCOC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1
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| InChI |
InChI=1S/C20H17N5O4/c1-2-28-19(27)14-12-21-20(22-16(26)11-13-7-4-3-5-8-13)25-18(14)23-17(24-25)15-9-6-10-29-15/h3-10,12H,2,11H2,1H3,(H,21,22,26)
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| InChIKey |
WMATVRCFAUYCCA-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