Brigimadlin
(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
Molecular Identity
Brigimadlin
(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
PubChem CID: 129264140
2D Structure
Properties
C31H25Cl2FN4O3
Molecular Formula
591.50
Molecular Weight
g/mol
590.1288
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
87.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
1100
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC2=C3CC4C(N3N=C12)C(C5(N4CC6CC6)C7=C(C=C(C=C7)Cl)NC5=O)C8=C(C(=CC=C8)Cl)F)C(=O)OIsomeric SMILES
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)OSynonyms(20)
Brigimadlin2095116-40-6BI9078289A934ZAN94RefChem:1080126BI-907828BI 907828(3S,3'S,3a'S,10a'S)-6-Chloro-3'-(3-chloro-2-fluorophenyl)-1'-(cyclopropylmethyl)-6'-methyl-2-oxo-3',3a',10',10a'-tetrahydro-1'H-spiro[indoline-3,2'-pyrrolo[2',3':4,5]pyrrolo[1,2-b]indazole]-7'-carboxylic acid(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 acidBrigimadlinaBrigimadlineBrigmadlinBrigimadlin?BI-907828 (Bridimadlin)G7I
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Brigimadlin
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