General Information of the Compound
| Compound ID |
CP0480654
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| Compound Name |
(2S,3S,4R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-piperidin-1-ylsulfonylphenyl)carbamoylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C24H30N8O7S
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| Molecular Weight |
574.62
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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)N3CCCCC3)ncnc12
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| InChI |
InChI=1S/C24H30N8O7S/c1-2-25-22(35)19-17(33)18(34)23(39-19)32-13-28-16-20(26-12-27-21(16)32)30-24(36)29-14-6-8-15(9-7-14)40(37,38)31-10-4-3-5-11-31/h6-9,12-13,17-19,23,33-34H,2-5,10-11H2,1H3,(H,25,35)(H2,26,27,29,30,36)/t17-,18+,19-,23?/m0/s1
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| InChIKey |
UWISFKOCNMHOGN-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