General Information of the Compound
| Compound ID |
CP0495164
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| Compound Name |
(2S,3S,4R,5R)-5-[6-[[(1R,2R)-2-(4-chlorophenoxy)cyclopentyl]amino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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| Structure |
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| Formula |
C23H27ClN6O5
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| Molecular Weight |
502.959
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| Canonical SMILES |
CCNC(=O)[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/C23H27ClN6O5/c1-2-25-22(33)19-17(31)18(32)23(35-19)30-11-28-16-20(26-10-27-21(16)30)29-14-4-3-5-15(14)34-13-8-6-12(24)7-9-13/h6-11,14-15,17-19,23,31-32H,2-5H2,1H3,(H,25,33)(H,26,27,29)/t14-,15-,17+,18-,19+,23-/m1/s1
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| InChIKey |
QHCCYMQVQIXGMM-SLHDEKGNSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3