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Chemical structure of CH7057288

GC33112

CH7057288

Also known as N-tert-butyl-2-[2-[8-(methanesulfonamido)-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methylpyridine-4-carboxamide

CH7057288 is a potent and selective TRK inhibitor

ChemicalCAS2095616-82-1MW569.67FormulaC32H31N3O5S
CAS number
2095616-82-1
Molecular weight
569.67
Formula
C32H31N3O5S
Solubility
DMSO ： ≥ 34 mg/mL (59·68 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
DCGOHGQJHJXBGW-UHFFFAOYSA-N
Catalogue number
GC33112
Brand
GLPBIO
Computed properties PubChem CID 131839646 · XLogP 5.3 · TPSA 127 Ų · H-bond donors 2
XLogP
5.3
TPSA
127 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
41

SMILES CC1=CC(=CC(=N1)C#CC2=CC3=C(C=C2)C4=C(O3)C(C5=C(C4=O)C=CC(=C5)NS(=O)(=O)C)(C)C)C(=O)NC(C)(C)C

Computed descriptors from PubChem (CID 131839646), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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