General Information of the Compound
| Compound ID |
CP0398543
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| Compound Name |
5-(5-methylfuran-2-yl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C16H13N5O
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| Molecular Weight |
291.314
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)c2nn(cc2n1)-c1ccccc1
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| InChI |
InChI=1S/C16H13N5O/c1-10-7-8-13(22-10)16-18-12-9-21(11-5-3-2-4-6-11)20-14(12)15(17)19-16/h2-9H,1H3,(H2,17,18,19)
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| InChIKey |
NOGCWFVUNZLJDH-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: PT01279, Adenosine receptor A3