General Information of the Compound
| Compound ID |
CP0871144
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| Compound Name |
6-guanidino-2-(3''-(1''-(p-toluenesulfonyl)indolyl)ethyloxy)adenosine
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| Structure |
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| Formula |
C28H30N8O7S
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| Molecular Weight |
622.664
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(NC(=N)N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c3ccccc32)cc1
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| InChI |
InChI=1S/C28H30N8O7S/c1-15-6-8-17(9-7-15)44(40,41)36-12-16(18-4-2-3-5-19(18)36)10-11-42-28-33-24(32-27(29)30)21-25(34-28)35(14-31-21)26-23(39)22(38)20(13-37)43-26/h2-9,12,14,20,22-23,26,37-39H,10-11,13H2,1H3,(H4,29,30,32,33,34)/t20-,22-,23-,26-/m1/s1
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| InChIKey |
NUDAONZFDSLTMY-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