General Information of the Compound
| Compound ID |
CP0876607
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| Compound Name |
(2S,3S,4S,5R,E)-6-(2-(6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)hydrazono)hexane-1,2,3,4,5-pentaol
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| Structure |
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| Formula |
C16H25N7O9
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| Molecular Weight |
459.416
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| Canonical SMILES |
Nc1nc(N/N=C/[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C16H25N7O9/c17-13-8-14(23(4-18-8)15-12(31)11(30)7(3-25)32-15)21-16(20-13)22-19-1-5(26)9(28)10(29)6(27)2-24/h1,4-7,9-12,15,24-31H,2-3H2,(H3,17,20,21,22)/b19-1+/t5-,6+,7-,9+,10+,11-,12-,15-/m1/s1
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| InChIKey |
RLCQGQPGSYBEDP-JQPUYDDXSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3