General Information of the Compound
| Compound ID |
CP0499897
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| Compound Name |
1-deoxy-1-[6-(N'-benzoylhydrazino)-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide
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| Structure |
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| Formula |
C19H21N7O5
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| Molecular Weight |
427.421
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccccc3)ncnc12
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| InChI |
InChI=1S/C19H21N7O5/c1-2-20-18(30)14-12(27)13(28)19(31-14)26-9-23-11-15(21-8-22-16(11)26)24-25-17(29)10-6-4-3-5-7-10/h3-9,12-14,19,27-28H,2H2,1H3,(H,20,30)(H,25,29)(H,21,22,24)/t12-,13+,14-,19+/m0/s1
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| InChIKey |
WWVUYTIIDZQBTR-SSHHRWTQSA-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