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Chemical structure of Apoptozole

GC14411

Apoptozole

Also known as 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide

inhibitor of heat shock protein 70 (Hsp70)

ChemicalCAS1054543-47-3MW625.6FormulaC33H25F6N3O3
CAS number
1054543-47-3
Molecular weight
625.6
Formula
C33H25F6N3O3
Solubility
≤10mg/ml in ethanol;50mg/ml in DMSO;50mg/ml in dimethyl formamide
InChIKey
ZIMMTPFXOMAJTQ-UHFFFAOYSA-N
Catalogue number
GC14411
Brand
GLPBIO
Computed properties PubChem CID 24894064 · XLogP 7.2 · TPSA 79.4 Ų · H-bond donors 1
XLogP
7.2
TPSA
79.4 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
45

SMILES COC1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)C(=O)N)C5=CC=C(C=C5)OC

Computed descriptors from PubChem (CID 24894064), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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