GW3965 hydrochloride
PubChem CID: 16078973
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| Compound Synonyms | 405911-17-3, GW3965 hydrochloride, GW3965 HCl, GW 3965 HYDROCHLORIDE, 2-(3-(3-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)propoxy)phenyl)acetic acid hydrochloride, GW3965 (hydrochloride), MFCD08276920, 2-[3-[3-[[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]propoxy]phenyl]acetic acid hydrochloride, 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetic acid, hydrochloride, C33H31ClF3NO3 hydrochloride, 405911-17-3 (HCl), 2-(3-(3-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)-amino)propoxy)phenyl)acetic acid hydrochloride, 3-[3-[N-(2-Chloro-3-trifluoromethylbenzyl)-(2,2-diphenylethyl)amino]propyloxy]phenylacetic acid hydrochloride, C33H32Cl2F3NO3, GW3965 HCl, 2-(3-{3-[[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]propoxy)-phenyl)acetic acid hydrochloride salt, 2-(3-{3-[[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]propoxy}-phenyl)acetic acid hydrochloride salt, GW-3965 hydrochloride, GW-3965 hydrochloride?, MLS006011227, SCHEMBL320637, CHEMBL4060455, EX-A8133A, DTXSID20961003, CHEBI:232793, BCP03049, HY-10627A, s2630, AKOS015848391, BCP9000752, CCG-264971, CS-0843, AC-32645, FG103816, SMR004702987, SY046844, BCP0726000251, SW203823-2, A10583, GW3965 hydrochloride, >=98% (HPLC), powder, GW 3965 hydrochloride is known as a liver X receptor agonist., (3-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amino]-propoxy}-phenyl)-acetic acid hydrochloride, (3-{3-[{[2-Chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)amino]propoxy}phenyl)acetic acid--hydrogen chloride (1/1), (3-{3[(2-chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-acetic acid hydrochloride salt, 2-[3-[3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO]PROPOXY]PHENYL]ACETIC ACID HCL, 3-[3-[[[2-chloro-3-(trifluoromethyl)phenyl]methyl](2,2-diphenylethyl)amino]propoxy]benzeneaceticacidhydrochloride, 3-[3-[[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]propoxy]phenylacetic Acid Hydrochloride, 637-023-6 |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 753.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]acetic acid, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C33H32Cl2F3NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NMPUWJFHNOUNQU-UHFFFAOYSA-N |
| Fcsp3 | 0.2424242424242424 |
| Logs | -5.853 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.52 |
| Compound Name | GW3965 hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 617.171 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 617.171 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 618.5 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.3883997428571435 |
| Inchi | InChI=1S/C33H31ClF3NO3.ClH/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), 1H |
| Smiles | C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4.Cl |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pteris Cretica (Plant) Rel Props:Source_db:cmaup_ingredients