General Information of the Compound
| Compound ID |
CP0448715
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| Compound Name |
(2S,3S,4R)-5-[6-[[4-(benzylsulfamoyl)phenyl]carbamoylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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| Structure |
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| Formula |
C26H28N8O7S
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| Molecular Weight |
596.626
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| Canonical SMILES |
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)NCc3ccccc3)ncnc12
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| InChI |
InChI=1S/C26H28N8O7S/c1-2-27-24(37)21-19(35)20(36)25(41-21)34-14-30-18-22(28-13-29-23(18)34)33-26(38)32-16-8-10-17(11-9-16)42(39,40)31-12-15-6-4-3-5-7-15/h3-11,13-14,19-21,25,31,35-36H,2,12H2,1H3,(H,27,37)(H2,28,29,32,33,38)/t19-,20+,21-,25?/m0/s1
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| InChIKey |
CWOFCLDTHQQLNI-UZNLOIBPSA-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