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Chemical structure of PI3K-IN-30

GC69707

PI3K-IN-30

Also known as 2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]ethanol

PI3K-IN-30 (compound 6d) is an effective PI3K inhibitor with IC50 values of 5·1 nM, 136 nM, 30·7 nM and 8·9 nM for PI3Kα, PI3Kβ, PI3Kγ and PI3Kδ respectively

ChemicalCAS2281803-22-1MW449.45FormulaC20H25F2N7O3
CAS number
2281803-22-1
Molecular weight
449.45
Formula
C20H25F2N7O3
InChIKey
DTTGBWQUOGWGMZ-UHFFFAOYSA-N
Catalogue number
GC69707
Brand
GLPBIO
Computed properties PubChem CID 142527982 · XLogP 1.8 · TPSA 102 Ų · H-bond donors 1
XLogP
1.8
TPSA
102 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
32

SMILES COCCN(CCO)C1=NC(=NC(=N1)N2CCOCC2)N3C4=CC=CC=C4N=C3C(F)F

Computed descriptors from PubChem (CID 142527982), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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