General Information of the Compound
| Compound ID |
CP0021210
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| Compound Name |
3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]benzoic acid
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| Structure |
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| Formula |
C32H29ClF3NO3
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| Molecular Weight |
568.035
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| Canonical SMILES |
OC(=O)c1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
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| InChI |
InChI=1S/C32H29ClF3NO3/c33-30-26(15-8-17-29(30)32(34,35)36)21-37(18-9-19-40-27-16-7-14-25(20-27)31(38)39)22-28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-17,20,28H,9,18-19,21-22H2,(H,38,39)
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| InChIKey |
LYILZTQKEIMJDW-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