General Information of the Compound
| Compound ID |
CP0397897
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| Compound Name |
(2R,3S,4R,5R)-2-(2-ethyltetrazol-5-yl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C13H17N9O3
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| Molecular Weight |
347.339
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| Canonical SMILES |
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
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| InChI |
InChI=1S/C13H17N9O3/c1-3-22-19-11(18-20-22)9-7(23)8(24)13(25-9)21-5-17-6-10(14-2)15-4-16-12(6)21/h4-5,7-9,13,23-24H,3H2,1-2H3,(H,14,15,16)/t7-,8+,9-,13+/m0/s1
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| InChIKey |
XLNLUOHNKKMJIG-QRIDJOKKSA-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
Protein ID: PT01827, Adenosine receptor A3