General Information of the Compound
| Compound ID |
CP0392903
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| Compound Name |
N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
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| Structure |
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| Formula |
C11H12N4O
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| Molecular Weight |
216.244
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| Canonical SMILES |
CCC(=O)Nc1nnc([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C11H12N4O/c1-2-9(16)12-11-13-10(14-15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
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| InChIKey |
XKVQBJSJLKDYSE-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