General Information of the Compound
| Compound ID |
CP0497462
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| Compound Name |
2-(3-methylphenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
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| Structure |
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| Formula |
C17H16N4O2
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| Molecular Weight |
308.341
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| Canonical SMILES |
Cc1cccc(OCC(=O)Nc2nnc([nH]2)-c2ccccc2)c1
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| InChI |
InChI=1S/C17H16N4O2/c1-12-6-5-9-14(10-12)23-11-15(22)18-17-19-16(20-21-17)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,19,20,21,22)
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| InChIKey |
IYUUTJNKJYFZRY-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3