General Information of the Compound
| Compound ID |
CP0139864
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| Compound Name |
(2R,3R,4S,5R)-2-[2-chloro-6-[di(cyclobutyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C19H26ClN5O4
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| Molecular Weight |
423.901
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12
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| InChI |
InChI=1S/C19H26ClN5O4/c20-19-23-16(22-12(9-3-1-4-9)10-5-2-6-10)13-17(24-19)25(8-21-13)18-15(28)14(27)11(7-26)29-18/h8-12,14-15,18,26-28H,1-7H2,(H,22,23,24)/t11-,14-,15-,18-/m1/s1
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| InChIKey |
WRZNTZAVIFSIPG-XKLVTHTNSA-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: PT05020, Adenosine receptor A1
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT05025, Adenosine receptor A3
Protein ID: PT01279, Adenosine receptor A3