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Chemical structure of ACAT-IN-1 cis isomer

GC31548

ACAT-IN-1 cis isomer

Also known as N-[(1S,2R)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-diphenylacetamide

ACAT-IN-1 cis isomer is a potent ACAT inhibitor with an IC50 of 100 nM

ChemicalCAS145961-79-1MW419.51FormulaC29H25NO2
CAS number
145961-79-1
Molecular weight
419.51
Formula
C29H25NO2
Solubility
Soluble in DMSO
InChIKey
ZPORBGGQIAIHNC-IXCJQBJRSA-N
Catalogue number
GC31548
Brand
GLPBIO
Computed properties PubChem CID 9866775 · XLogP 5.8 · TPSA 49.3 Ų · H-bond donors 2
XLogP
5.8
TPSA
49.3 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
32

SMILES C1[C@@H]([C@@H](C2=CC=CC=C21)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)O

Computed descriptors from PubChem (CID 9866775), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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