General Information of the Compound
| Compound ID |
CP0488249
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| Compound Name |
(2R,3R,4S,5R)-2-[6-[[(1R,2R)-2-(4-chlorophenoxy)cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C21H24ClN5O5
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| Molecular Weight |
461.906
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(Cl)cc3)ncnc12
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| InChI |
InChI=1S/C21H24ClN5O5/c22-11-4-6-12(7-5-11)31-14-3-1-2-13(14)26-19-16-20(24-9-23-19)27(10-25-16)21-18(30)17(29)15(8-28)32-21/h4-7,9-10,13-15,17-18,21,28-30H,1-3,8H2,(H,23,24,26)/t13-,14-,15-,17-,18-,21-/m1/s1
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| InChIKey |
VKBVKOURJLIITC-CPIJZORTSA-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: PT01717, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3