General Information of the Compound
| Compound ID |
CP0408824
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| Compound Name |
2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ribofuranosyl)adenine
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| Structure |
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| Formula |
C18H19ClN8O5
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| Molecular Weight |
462.854
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| Canonical SMILES |
COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
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| InChI |
InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
XAQXKAIELUTQQX-LSCFUAHRSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3