General Information of the Compound
| Compound ID |
CP0399763
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| Compound Name |
7-(2-Hydroxyethyl)-7H-adenine
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| Structure |
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| Formula |
C7H9N5O
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| Molecular Weight |
179.183
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| Canonical SMILES |
Nc1ncnc2ncn(CCO)c12
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| InChI |
InChI=1S/C7H9N5O/c8-6-5-7(10-3-9-6)11-4-12(5)1-2-13/h3-4,13H,1-2H2,(H2,8,9,10)
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| InChIKey |
XOMKQMGJBJAMCE-UHFFFAOYSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3