General Information of the Compound
| Compound ID |
CP0435556
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| Compound Name |
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
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| Structure |
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| Formula |
C19H18N4O2
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| Molecular Weight |
334.379
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| Canonical SMILES |
O=C(COc1ccc2CCCc2c1)Nc1nnc([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C19H18N4O2/c24-17(12-25-16-10-9-13-7-4-8-15(13)11-16)20-19-21-18(22-23-19)14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H2,20,21,22,23,24)
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| InChIKey |
VABPMXNJLMPQNR-UHFFFAOYSA-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