General Information of the Compound
| Compound ID |
CP0442429
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| Compound Name |
1-deoxy-1-{6-[N'-(furan-2-carbonyl)-hydrazino]-9H-purin-9-yl}-N-ethyl-beta-D-ribofuranuronamide
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| Structure |
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| Formula |
C17H19N7O6
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| Molecular Weight |
417.382
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)ncnc12
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| InChI |
InChI=1S/C17H19N7O6/c1-2-18-16(28)12-10(25)11(26)17(30-12)24-7-21-9-13(19-6-20-14(9)24)22-23-15(27)8-4-3-5-29-8/h3-7,10-12,17,25-26H,2H2,1H3,(H,18,28)(H,23,27)(H,19,20,22)/t10-,11+,12-,17+/m0/s1
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| InChIKey |
DNDONDMNEQXUBC-HBGPKNEHSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3