General Information of the Compound
| Compound ID |
CP0435555
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| Compound Name |
4-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
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| Structure |
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| Formula |
C15H11ClN4O
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| Molecular Weight |
298.733
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C15H11ClN4O/c16-12-8-6-11(7-9-12)14(21)18-15-17-13(19-20-15)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20,21)
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| InChIKey |
OSWPTXKPJKLFMB-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