General Information of the Compound
| Compound ID |
CP0446165
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| Compound Name |
2-[(4-fluorophenyl)ethynyl]-N6-methoxyadenosine
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| Synonyms |
2-[(4-fluorophenyl)ethynyl]-N6-methoxyadenosine
CHEMBL223739
SCHEMBL4381150
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| Structure |
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| Formula |
C19H18FN5O5
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| Molecular Weight |
415.381
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| Canonical SMILES |
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C19H18FN5O5/c1-29-24-17-14-18(23-13(22-17)7-4-10-2-5-11(20)6-3-10)25(9-21-14)19-16(28)15(27)12(8-26)30-19/h2-3,5-6,9,12,15-16,19,26-28H,8H2,1H3,(H,22,23,24)/t12-,15-,16-,19-/m1/s1
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| InChIKey |
IEVVENMHWBPFQV-BGIGGGFGSA-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