General Information of the Compound
| Compound ID |
CP0446156
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| Compound Name |
2-(4-hydroxypent-1-yl)-N6-methoxyadenosine
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| Synonyms |
2-(4-hydroxypent-1-yl)-N6-methoxyadenosine
CHEMBL219888
SCHEMBL4381152
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| Structure |
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| Formula |
C16H21N5O6
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| Molecular Weight |
379.373
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| Canonical SMILES |
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCC(C)O
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| InChI |
InChI=1S/C16H21N5O6/c1-8(23)4-3-5-10-18-14(20-26-2)11-15(19-10)21(7-17-11)16-13(25)12(24)9(6-22)27-16/h7-9,12-13,16,22-25H,4,6H2,1-2H3,(H,18,19,20)/t8?,9-,12-,13-,16-/m1/s1
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| InChIKey |
MVQXWIPZMVHVNF-WTBWQYLWSA-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