General Information of the Compound
| Compound ID |
CP0446718
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| Compound Name |
1-[3-(4-bromophenyl)-5-phenyl-1,2,4-triazol-1-yl]ethanone
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| Structure |
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| Formula |
C16H12BrN3O
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| Molecular Weight |
342.196
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| Canonical SMILES |
CC(=O)n1nc(nc1-c1ccccc1)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C16H12BrN3O/c1-11(21)20-16(13-5-3-2-4-6-13)18-15(19-20)12-7-9-14(17)10-8-12/h2-10H,1H3
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| InChIKey |
XPZZEBKIULFCJD-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta