General Information of the Compound
| Compound ID |
CP0378996
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methoxyamino)-2-(2-trimethylsilylethynyl)purin-9-yl]oxolane-3,4-diol
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| Synonyms |
CHEMBL267421
N6-methoxy-2-[2-(trimethylsilyl)ethynyl]adenosine
SCHEMBL4378430
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| Structure |
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| Formula |
C16H23N5O5Si
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| Molecular Weight |
393.476
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| Canonical SMILES |
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C[Si](C)(C)C
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| InChI |
InChI=1S/C16H23N5O5Si/c1-25-20-14-11-15(19-10(18-14)5-6-27(2,3)4)21(8-17-11)16-13(24)12(23)9(7-22)26-16/h8-9,12-13,16,22-24H,7H2,1-4H3,(H,18,19,20)/t9-,12-,13-,16-/m1/s1
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| InChIKey |
UOJJCTHGWLSJEL-RVXWVPLUSA-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
Clinical Information about the Compound