General Information of the Compound
| Compound ID |
CP0425050
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| Compound Name |
(2R,3R,4S,5R)-2-(2-(2-(1H-pyrrol-3-yl)ethoxy)-6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
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| Synonyms |
2-(3''''-pyrrolylethyloxy)adenosine
2-(3''-pyrrolylethyloxy)adenosine
2-(3'-Pyrrolylethyloxy)Adenosine
BDBM50208806
CHEMBL222945
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| Structure |
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| Formula |
C16H20N6O5
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| Molecular Weight |
376.373
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| Canonical SMILES |
Nc1nc(OCCc2cc[nH]c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C16H20N6O5/c17-13-10-14(21-16(20-13)26-4-2-8-1-3-18-5-8)22(7-19-10)15-12(25)11(24)9(6-23)27-15/h1,3,5,7,9,11-12,15,18,23-25H,2,4,6H2,(H2,17,20,21)/t9-,11-,12-,15-/m1/s1
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| InChIKey |
OBDCLFIHFXHMSJ-SDBHATRESA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound