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Chemical structure of ABBV-167

GC64674

ABBV-167

Also known as [5-[5-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-[[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]phenoxy]pyrrolo[2,3-b]pyridin-7-yl]methyl dihydrogen phosphate

ABBV-167 is a phosphate prodrug of the BCL-2 inhibitor venetoclax

ChemicalCAS1351456-78-4MW978.45FormulaC46H53ClN7O11PS
CAS number
1351456-78-4
Molecular weight
978.45
Formula
C46H53ClN7O11PS
Solubility
DMSO ： 100 mg/mL (102·20 mM; Need ultrasonic)
InChIKey
CLQLTQZFOGFNCT-UHFFFAOYSA-N
Catalogue number
GC64674
Brand
GLPBIO
Computed properties PubChem CID 54755012 · XLogP 3.9 · TPSA 239 Ų · H-bond donors 4
XLogP
3.9
TPSA
239 Ų
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
15
Heavy atoms
67

SMILES CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN(C8=NC=CC8=C7)COP(=O)(O)O)C

Computed descriptors from PubChem (CID 54755012), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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