General Information of the Compound
| Compound ID |
CP0399764
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| Compound Name |
7-(2,3-Dihydroxypropyl)-7H-adenine
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| Structure |
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| Formula |
C8H11N5O2
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| Molecular Weight |
209.209
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| Canonical SMILES |
Nc1ncnc2ncn(CC(O)CO)c12
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| InChI |
InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)12-4-13(6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)
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| InChIKey |
XYJGQIGHFQBRNV-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