General Information of the Compound
| Compound ID |
CP0393965
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| Compound Name |
(2S,3S,4R)-5-[6-[[4-(dipropylsulfamoyl)phenyl]carbamoylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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| Structure |
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| Formula |
C25H34N8O7S
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| Molecular Weight |
590.663
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| Canonical SMILES |
CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3n(cnc23)C2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1
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| InChI |
InChI=1S/C25H34N8O7S/c1-4-11-32(12-5-2)41(38,39)16-9-7-15(8-10-16)30-25(37)31-21-17-22(28-13-27-21)33(14-29-17)24-19(35)18(34)20(40-24)23(36)26-6-3/h7-10,13-14,18-20,24,34-35H,4-6,11-12H2,1-3H3,(H,26,36)(H2,27,28,30,31,37)/t18-,19+,20-,24?/m0/s1
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| InChIKey |
YMMCGFOMYASSRW-PHTWQSKTSA-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