General Information of the Compound
| Compound ID |
CP0113066
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| Compound Name |
2,4-diphenyl-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperazine
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| Structure |
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| Formula |
C23H22F3N3
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| Molecular Weight |
397.444
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| Canonical SMILES |
FC(F)(F)c1ccc(CN2CCN(CC2c2ccccc2)c2ccccc2)cn1
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| InChI |
InChI=1S/C23H22F3N3/c24-23(25,26)22-12-11-18(15-27-22)16-29-14-13-28(20-9-5-2-6-10-20)17-21(29)19-7-3-1-4-8-19/h1-12,15,21H,13-14,16-17H2
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| InChIKey |
MGAXXAQFWJEKCP-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