General Information of the Compound
| Compound ID |
CP0413676
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| Compound Name |
N-[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
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| Structure |
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| Formula |
C18H18N4O2
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| Molecular Weight |
322.368
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| Canonical SMILES |
CC(Oc1ccccc1)C(=O)Nc1nnc([nH]1)-c1cccc(C)c1
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| InChI |
InChI=1S/C18H18N4O2/c1-12-7-6-8-14(11-12)16-19-18(22-21-16)20-17(23)13(2)24-15-9-4-3-5-10-15/h3-11,13H,1-2H3,(H2,19,20,21,22,23)
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| InChIKey |
NJWVJCAQDXGCGY-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