General Information of the Compound
| Compound ID |
CP0373792
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| Compound Name |
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C15H10N4O
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| Molecular Weight |
262.272
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| Canonical SMILES |
c1coc(c1)-c1nc2[nH]ccc2cc1-c1ccncn1
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| InChI |
InChI=1S/C15H10N4O/c1-2-13(20-7-1)14-11(12-4-5-16-9-18-12)8-10-3-6-17-15(10)19-14/h1-9H,(H,17,19)
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| InChIKey |
SDUHCRWJXFZMQH-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