General Information of the Compound
| Compound ID |
CP0453273
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| Compound Name |
(2R,3S,4R)-2-hydroxymethyl-5-((S)-2-iodo-6-methoxyamino-9H-purin-3-yl)-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C11H14IN5O5
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| Molecular Weight |
423.167
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| Canonical SMILES |
CONc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C11H14IN5O5/c1-21-16-8-5-9(15-11(12)14-8)17(3-13-5)10-7(20)6(19)4(2-18)22-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,14,15,16)/t4-,6-,7-,10-/m1/s1
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| InChIKey |
GNNGFDUNVSCVFX-KQYNXXCUSA-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: PT01279, Adenosine receptor A3