General Information of the Compound
| Compound ID |
CP0393289
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| Compound Name |
2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
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| Structure |
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| Formula |
C18H17ClN4O2
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| Molecular Weight |
356.813
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C18H17ClN4O2/c1-18(2,25-14-10-8-13(19)9-11-14)16(24)21-17-20-15(22-23-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,21,22,23,24)
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| InChIKey |
QEBGDAXCDXZCHH-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