General Information of the Compound
| Compound ID |
CP0498141
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| Compound Name |
2-(3''-(benzoimidazole-1''-yl)ethyloxy)adenosine
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| Synonyms |
2-(3''-(benzoimidazole-1''-yl)ethyloxy)adenosine
BDBM50208818
CHEMBL221363
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| Structure |
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| Formula |
C19H21N7O5
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| Molecular Weight |
427.421
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| Canonical SMILES |
Nc1nc(OCCn2cnc3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H21N7O5/c20-16-13-17(26(9-22-13)18-15(29)14(28)12(7-27)31-18)24-19(23-16)30-6-5-25-8-21-10-3-1-2-4-11(10)25/h1-4,8-9,12,14-15,18,27-29H,5-7H2,(H2,20,23,24)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
KTEOQJBVVWABJA-SCFUHWHPSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound