General Information of the Compound
| Compound ID |
CP0453275
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| Compound Name |
2-(5-cyano-1-pent-1-ynyl)-N6-methoxyadenosine
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| Synonyms |
2-(5-cyano-1-pent-1-ynyl)-N6-methoxyadenosine
CHEMBL375619
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| Structure |
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| Formula |
C17H20N6O5
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| Molecular Weight |
388.384
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| Canonical SMILES |
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCC#N
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| InChI |
InChI=1S/C17H20N6O5/c1-27-22-15-12-16(21-11(20-15)6-4-2-3-5-7-18)23(9-19-12)17-14(26)13(25)10(8-24)28-17/h9-10,13-14,17,24-26H,2-3,5,8H2,1H3,(H,20,21,22)/t10-,13-,14-,17-/m1/s1
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| InChIKey |
SNWMEUXNYSKHNP-IWCJZZDYSA-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