General Information of the Compound
| Compound ID |
CP0419833
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| Compound Name |
2-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
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| Structure |
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| Formula |
C18H15N5O3
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| Molecular Weight |
349.35
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| Canonical SMILES |
Cc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C18H15N5O3/c1-11-4-6-12(7-5-11)9-19-18-20-10-13(17(24)25)16-21-15(22-23(16)18)14-3-2-8-26-14/h2-8,10H,9H2,1H3,(H,19,20)(H,24,25)
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| InChIKey |
PQENFDKFKUKZEC-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