General Information of the Compound
| Compound ID |
CP0425420
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| Compound Name |
(2R,3R,4S,5R)-2-(6-amino-2-(2-(5-methoxy-1H-indol-3-yl)ethoxy)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
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| Synonyms |
2-(3''''-(5''''-methoxy-indolyl)ethyloxy)adenosine
2-(3''-(5''-methoxy-indolyl)ethyloxy)adenosine
BDBM50208796
CHEMBL374028
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| Structure |
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| Formula |
C21H24N6O6
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| Molecular Weight |
456.459
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| Canonical SMILES |
COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
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| InChI |
InChI=1S/C21H24N6O6/c1-31-11-2-3-13-12(6-11)10(7-23-13)4-5-32-21-25-18(22)15-19(26-21)27(9-24-15)20-17(30)16(29)14(8-28)33-20/h2-3,6-7,9,14,16-17,20,23,28-30H,4-5,8H2,1H3,(H2,22,25,26)/t14-,16-,17-,20-/m1/s1
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| InChIKey |
HIDGDYNRSPJOMR-WVSUBDOOSA-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