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Chemical structure of DS68591889

GC75657

DS68591889

Also known as 7-[5-(2,2-difluoropropyl)-4-[4-[3-methyl-4-(trifluoromethoxy)phenoxy]phenyl]-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3H-1,3-benzoxazol-2-one

DS68591889 is an inhibitor of phosphatidylserine synthase 1 (PTDSS1)

ChemicalCAS2488609-21-6MW600.49FormulaC29H21F5N4O5
CAS number
2488609-21-6
Molecular weight
600.49
Formula
C29H21F5N4O5
Solubility
DMSO： 200 mg/mL (333·06 mM; Need ultrasonic)
InChIKey
RCVCNESVDVTQMU-UHFFFAOYSA-N
Catalogue number
GC75657
Brand
GLPBIO
Computed properties PubChem CID 155686047 · XLogP 6.3 · TPSA 106 Ų · H-bond donors 2
XLogP
6.3
TPSA
106 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
43

SMILES CC1=C(C=CC(=C1)OC2=CC=C(C=C2)C3C4=C(C(=O)N3CC(C)(F)F)NN=C4C5=C6C(=CC=C5)NC(=O)O6)OC(F)(F)F

Computed descriptors from PubChem (CID 155686047), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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