General Information of the Compound
| Compound ID |
CP0006936
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| Compound Name |
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-[2,2-di(phenyl)ethyl]amino]propoxy]phenyl]acetic acid
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| Synonyms |
(3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-[2,2-di(phenyl)ethyl]amino]propoxy]phenyl]acetic acid
3-(3-[[2-chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)-amino]-propoxy}-phenyl acetic acid
405911-09-3
6JI5YOG7RC
CHEBI:79995
CHEMBL59030
GW 3965
GW 3965A
GW-3965
GW-3965A
GW3965
UNII-6JI5YOG7RC
[3-(3-{[2-Chloro-3-(Trifluoromethyl)benzyl](2,2-Diphenylethyl)amino}propoxy)phenyl]acetic Acid
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| Structure |
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| Formula |
C33H31ClF3NO3
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| Molecular Weight |
582.062
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| Canonical SMILES |
OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
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| InChI |
InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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| InChIKey |
NAXSRXHZFIBFMI-UHFFFAOYSA-N
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| CAS |
405911-09-3
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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
Cell-based Assay
Protein ID: PT01887, Oxysterols receptor LXR-beta
Cell-based Assay
Clinical Information about the Compound