General Information of the Compound
| Compound ID |
CP0431940
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| Compound Name |
1-[3-(4-methylphenyl)-5-phenyl-1,2,4-triazol-1-yl]ethanone
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| Structure |
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| Formula |
C17H15N3O
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| Molecular Weight |
277.327
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| Canonical SMILES |
CC(=O)n1nc(nc1-c1ccccc1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C17H15N3O/c1-12-8-10-14(11-9-12)16-18-17(20(19-16)13(2)21)15-6-4-3-5-7-15/h3-11H,1-2H3
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| InChIKey |
OJOSAEZNLXKDQZ-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