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Chemical structure of CPD-1224

GC68896

CPD-1224

Also known as 5-[3-[[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

CPD-1224 is an orally effective ALK inhibitor and a derivative of the cereblon-coupled ligand ALK inhibitor· CPD-1224 targets the oncogenic fusion protein EML4-ALK and degrades both ALK and mutant variants L1196M/G1202R

ChemicalCAS2891620-68-9MW855.4FormulaC43H47ClN8O7S
CAS number
2891620-68-9
Molecular weight
855.4
Formula
C43H47ClN8O7S
InChIKey
YROLXKJYDUJWRK-UHFFFAOYSA-N
Catalogue number
GC68896
Brand
GLPBIO
Computed properties PubChem CID 168265663 · XLogP 6.1 · TPSA 192 Ų · H-bond donors 3
XLogP
6.1
TPSA
192 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
60

SMILES CC1=CC(=C(C=C1C2CCN(CC2)CC3CN(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6CCC(=O)NC6=O)OC)NC7=NC=C(C(=N7)NC8=CC=CC=C8S(=O)(=O)C(C)C)Cl

Computed descriptors from PubChem (CID 168265663), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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