General Information of the Compound
| Compound ID |
CP0379815
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| Compound Name |
2-(furan-2-yl)-5-(pentylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
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| Structure |
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| Formula |
C15H17N5O3
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| Molecular Weight |
315.333
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| Canonical SMILES |
CCCCCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C15H17N5O3/c1-2-3-4-7-16-15-17-9-10(14(21)22)13-18-12(19-20(13)15)11-6-5-8-23-11/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)(H,21,22)
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| InChIKey |
IZOYRNZUKBFKMC-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