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Chemical structure of CHMFL-BMX-078 (CHMFL-BMX 078)

GC33020

CHMFL-BMX-078 (CHMFL-BMX 078)

Also known as 4-(methylamino)-2-[4-methyl-3-(prop-2-enoylamino)anilino]-N-[2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]phenyl]pyrimidine-5-carboxamide

CHMFL-BMX-078 (CHMFL-BMX 078) is a highly potent and selective type II irreversible BMX kinase inhibitor with an IC50 of 11 nM

ChemicalCAS1808288-51-8MW625.67FormulaC33H35N7O6
CAS number
1808288-51-8
Molecular weight
625.67
Formula
C33H35N7O6
Solubility
DMSO ： ≥ 30 mg/mL (47·95 mM)
InChIKey
XURALSVDCFXBAX-UHFFFAOYSA-N
Catalogue number
GC33020
Brand
GLPBIO
Computed properties PubChem CID 122633900 · XLogP 5 · TPSA 165 Ų · H-bond donors 5
XLogP
5
TPSA
165 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
46

SMILES CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C)NC(=O)C=C

Computed descriptors from PubChem (CID 122633900), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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