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Chemical structure of Thalidomide-O-amido-C4-N3

GC30105

Thalidomide-O-amido-C4-N3

Also listed as E3 ligase Ligand-Linker Conjugates 18

E3 ligase Ligand-Linker Conjugates 18 is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology

ChemicalCAS2098488-36-7MW428.4FormulaC19H20N6O6
CAS number
2098488-36-7
Molecular weight
428.4
Formula
C19H20N6O6
Solubility
DMSO : ≥ 41 mg/mL (95·70 mM)
InChIKey
USWFAZSQVLTHHA-UHFFFAOYSA-N
Catalogue number
GC30105
Brand
GLPBIO
Computed properties PubChem CID 131704500 · XLogP 1.1 · TPSA 136 Ų · H-bond donors 2
XLogP
1.1
TPSA
136 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
31

SMILES C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCN=[N+]=[N-]

Computed descriptors from PubChem (CID 131704500), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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