General Information of the Compound
| Compound ID |
CP0427011
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(pyrazin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C18H19N9O5
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| Molecular Weight |
441.408
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cnccn3)nc(nc12)-n1cc(CO)cn1
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| InChI |
InChI=1S/C18H19N9O5/c28-6-9-3-22-27(5-9)18-24-15(23-11-4-19-1-2-20-11)12-16(25-18)26(8-21-12)17-14(31)13(30)10(7-29)32-17/h1-5,8,10,13-14,17,28-31H,6-7H2,(H,20,23,24,25)/t10-,13-,14-,17-/m1/s1
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| InChIKey |
QUYKWNNCIUPGEA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3