General Information of the Compound
| Compound ID |
CP0451745
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| Compound Name |
(2S,3S,4R)-N-ethyl-3,4-dihydroxy-5-[6-[[4-(pentylsulfamoyl)phenyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C24H32N8O7S
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| Molecular Weight |
576.636
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| Canonical SMILES |
CCCCCNS(=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/C24H32N8O7S/c1-3-5-6-11-29-40(37,38)15-9-7-14(8-10-15)30-24(36)31-20-16-21(27-12-26-20)32(13-28-16)23-18(34)17(33)19(39-23)22(35)25-4-2/h7-10,12-13,17-19,23,29,33-34H,3-6,11H2,1-2H3,(H,25,35)(H2,26,27,30,31,36)/t17-,18+,19-,23?/m0/s1
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| InChIKey |
XVWBGEPJQXMTFC-YSPQCQSRSA-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