General Information of the Compound
| Compound ID |
CP0477487
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-[(4-pyridin-2-ylphenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C22H22N8O4
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| Molecular Weight |
462.47
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| Canonical SMILES |
Nc1nc(N\N=C\c2ccc(cc2)-c2ccccn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H22N8O4/c23-19-16-20(30(11-25-16)21-18(33)17(32)15(10-31)34-21)28-22(27-19)29-26-9-12-4-6-13(7-5-12)14-3-1-2-8-24-14/h1-9,11,15,17-18,21,31-33H,10H2,(H3,23,27,28,29)/b26-9+/t15-,17-,18-,21-/m1/s1
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| InChIKey |
LOFLMEUTZUZUHN-GSJHMHELSA-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