General Information of the Compound
| Compound ID |
CP0533208
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-[(2-chloropyridin-3-yl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C16H17ClN8O4
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| Molecular Weight |
420.817
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| Canonical SMILES |
Nc1nc(N\N=C\c2cccnc2Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C16H17ClN8O4/c17-12-7(2-1-3-19-12)4-21-24-16-22-13(18)9-14(23-16)25(6-20-9)15-11(28)10(27)8(5-26)29-15/h1-4,6,8,10-11,15,26-28H,5H2,(H3,18,22,23,24)/b21-4+/t8-,10-,11-,15-/m1/s1
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| InChIKey |
CJUIJRFDRPPWHP-DBBDEIFASA-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