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Chemical structure of Idelalisib D5

GC62465

Idelalisib D5

Also known as 5-fluoro-3-(2,3,4,5,6-pentadeuteriophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one

Idelalisib D5 is a deuterium labeled Idelalisib· Idelalisib is a highly selective and orally bioavailable p110δ inhibitor

ChemicalCAS1830330-31-8MW420.45FormulaC22H13D5FN7O
CAS number
1830330-31-8
Molecular weight
420.45
Formula
C22H13D5FN7O
InChIKey
IFSDAJWBUCMOAH-LPJONKDZSA-N
Catalogue number
GC62465
Brand
GLPBIO
Computed properties PubChem CID 91971682 · XLogP 3.7 · TPSA 99.2 Ų · H-bond donors 2
XLogP
3.7
TPSA
99.2 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])N2C(=O)C3=C(C=CC=C3F)N=C2[C@H](CC)NC4=NC=NC5=C4NC=N5)[2H])[2H]

Computed descriptors from PubChem (CID 91971682), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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