General Information of the Compound
| Compound ID |
CP0383511
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| Compound Name |
2-(2''-(1''-(p-toluenesulfonyl)indolyl)ethyloxy)adenosine
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| Structure |
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| Formula |
C27H28N6O7S
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| Molecular Weight |
580.623
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1c(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc2ccccc12
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| InChI |
InChI=1S/C27H28N6O7S/c1-15-6-8-18(9-7-15)41(37,38)33-17(12-16-4-2-3-5-19(16)33)10-11-39-27-30-24(28)21-25(31-27)32(14-29-21)26-23(36)22(35)20(13-34)40-26/h2-9,12,14,20,22-23,26,34-36H,10-11,13H2,1H3,(H2,28,30,31)/t20-,22-,23-,26-/m1/s1
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| InChIKey |
ZJDAEJJMDHYEGB-HUBRGWSESA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3