General Information of the Compound
| Compound ID |
CP0399474
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| Compound Name |
2-ethynyl-N6-methoxyadenosine
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| Synonyms |
2-ethynyl-N6-methoxyadenosine
CHEMBL374019
SCHEMBL4389749
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| Structure |
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| Formula |
C13H15N5O5
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| Molecular Weight |
321.293
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| Canonical SMILES |
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C
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| InChI |
InChI=1S/C13H15N5O5/c1-3-7-15-11(17-22-2)8-12(16-7)18(5-14-8)13-10(21)9(20)6(4-19)23-13/h1,5-6,9-10,13,19-21H,4H2,2H3,(H,15,16,17)/t6-,9-,10-,13-/m1/s1
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| InChIKey |
DPDYWTZJFUXIEE-ZRFIDHNTSA-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
Clinical Information about the Compound