General Information of the Compound
| Compound ID |
CP0446722
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| Compound Name |
1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C22H19N3O
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| Molecular Weight |
341.414
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| Canonical SMILES |
COc1cccc(c1)-c1nc(-c2ccccc2)n(Cc2ccccc2)n1
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| InChI |
InChI=1S/C22H19N3O/c1-26-20-14-8-13-19(15-20)21-23-22(18-11-6-3-7-12-18)25(24-21)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3
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| InChIKey |
PCALMCUVCORSKQ-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