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Chemical structure of ACTB-1003

GC15801

ACTB-1003

Also known as 1-[4-[4-amino-6-(methoxymethyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

ACTB-1003 (ACTB-1003) is an oral kinase inhibitor with IC50s of 6, 2 and 4 nM for FGFR1, VEGFR2 and Tie-2

ChemicalCAS939805-30-8MW591.53FormulaC27H26F5N7O3
CAS number
939805-30-8
Molecular weight
591.53
Formula
C27H26F5N7O3
Solubility
≥ 18·15mg/mL in DMSO
InChIKey
GZPJCJKUZPUFAL-UHFFFAOYSA-N
Catalogue number
GC15801
Brand
GLPBIO
Computed properties PubChem CID 23653175 · XLogP 2.5 · TPSA 119 Ų · H-bond donors 3
XLogP
2.5
TPSA
119 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
42

SMILES COCC1=C(N2C(=C1C3=CC(=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)F)C(=NC=N2)N)CN5CCOCC5

Computed descriptors from PubChem (CID 23653175), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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