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Chemical structure of Brigimadlin

GC26594

Brigimadlin

Also known as (3S,10'S,11'S,14'S)-6-chloro-11'-(3-chloro-2-fluorophenyl)-13'-(cyclopropylmethyl)-6'-methyl-2-oxospiro[1H-indole-3,12'-8,9,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1,3,5,7-tetraene]-5'-carboxylic acid

Brigimadlin (BI 907828) is an orally active and highly efficient E3 ubiquitin ligase MDM2-p53 antagonist with anti-tumor activity

ChemicalCAS2095116-40-6MW591.46FormulaC31H25Cl2FN4O3
CAS number
2095116-40-6
Molecular weight
591.46
Formula
C31H25Cl2FN4O3
InChIKey
AMTXDBGKYPDTTA-SJVQGLCSSA-N
Catalogue number
GC26594
Brand
GLPBIO
Computed properties PubChem CID 129264140 · XLogP 3.4 · TPSA 87.5 Ų · H-bond donors 2
XLogP
3.4
TPSA
87.5 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
41

SMILES CC1=C(C=CC2=C3C[C@H]4[C@@H](N3N=C12)[C@@H]([C@]5(N4CC6CC6)C7=C(C=C(C=C7)Cl)NC5=O)C8=C(C(=CC=C8)Cl)F)C(=O)O

Computed descriptors from PubChem (CID 129264140), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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