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Chemical structure of XL PI3K/mTOR inhibitor

GB40419

XL PI3K/mTOR inhibitor

Also known as N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxy-4-methylbenzamide

Orally active PI3K/mTOR tyrosine kinase inhibitor; matching the profile of XL 765·Note: XL 765 has an updated CAS registry number [934493-76-2]

ChemicalCAS934529-30-3MW599.66FormulaC31H29N5O6S
CAS number
934529-30-3
Molecular weight
599.66
Formula
C31H29N5O6S
InChIKey
KEDAVYHDQWPBEY-UHFFFAOYSA-N
Catalogue number
GB40419
Brand
GLPBIO
Computed properties PubChem CID 53483920 · XLogP 5.1 · TPSA 149 Ų · H-bond donors 3
XLogP
5.1
TPSA
149 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
43

SMILES CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC

Computed descriptors from PubChem (CID 53483920), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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