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Chemical structure of X-376

GC19140

X-376

Also known as 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide

X-376 is a potent and dual ALK/MET inhibitor with IC50s of 0·61 nM and 0·69 nM, respectively

ChemicalCAS1365267-27-1MW547.41FormulaC25H25Cl2FN6O3
CAS number
1365267-27-1
Molecular weight
547.41
Formula
C25H25Cl2FN6O3
Solubility
DMSO ： ≥ 37 mg/mL (67·59 mM)
InChIKey
ONPGOSVDVDPBCY-CQSZACIVSA-N
Catalogue number
GC19140
Brand
GLPBIO
Computed properties PubChem CID 56960447 · XLogP 3.2 · TPSA 114 Ų · H-bond donors 2
XLogP
3.2
TPSA
114 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
37

SMILES C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N)C(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C

Computed descriptors from PubChem (CID 56960447), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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