General Information of the Compound
| Compound ID |
CP0527804
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(1R,2R)-2-phenoxycyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C21H25N5O5
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| Molecular Weight |
427.461
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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]3Oc3ccccc3)ncnc12
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| InChI |
InChI=1S/C21H25N5O5/c27-9-15-17(28)18(29)21(31-15)26-11-24-16-19(22-10-23-20(16)26)25-13-7-4-8-14(13)30-12-5-2-1-3-6-12/h1-3,5-6,10-11,13-15,17-18,21,27-29H,4,7-9H2,(H,22,23,25)/t13-,14-,15-,17-,18-,21-/m1/s1
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| InChIKey |
QOIMBUAYNDJPGJ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3