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Chemical structure of Duvelisib R enantiomer

GC33162

Duvelisib R enantiomer

Also listed as Duvelisib R enantiomer (IPI-145 R enantiomer)

Duvelisib R enantiomer is a PI3K inhibitor, which is the less active enantiomer of Duvelisib

ChemicalCAS1261590-48-0MW416.86FormulaC22H17ClN6O
CAS number
1261590-48-0
Molecular weight
416.86
Formula
C22H17ClN6O
Solubility
Soluble in DMSO
InChIKey
SJVQHLPISAIATJ-CYBMUJFWSA-N
Catalogue number
GC33162
Brand
GLPBIO
Computed properties PubChem CID 68353646 · XLogP 4.1 · TPSA 86.8 Ų · H-bond donors 2
XLogP
4.1
TPSA
86.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES C[C@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5

Computed descriptors from PubChem (CID 68353646), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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