General Information of the Compound
| Compound ID |
CP0449474
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| Compound Name |
4-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
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| Structure |
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| Formula |
C16H14N4O
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| Molecular Weight |
278.315
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)15(21)18-16-17-14(19-20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20,21)
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| InChIKey |
MBOGPSXWWGOALR-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