General Information of the Compound
| Compound ID |
CP0847458
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| Compound Name |
2-(1-Methyl-2-phenylethylamino)adenosine
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| Structure |
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| Formula |
C19H24N6O4
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| Molecular Weight |
400.439
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| Canonical SMILES |
CC(Cc1ccccc1)Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C19H24N6O4/c1-10(7-11-5-3-2-4-6-11)22-19-23-16(20)13-17(24-19)25(9-21-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,22,23,24)/t10?,12-,14-,15-,18-/m1/s1
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| InChIKey |
YISHBQSEDYNEAM-BTBIENRZSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3