Brilanestrant
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
Molecular Identity
Brilanestrant
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
PubChem CID: 56941241
2D Structure
Properties
C26H20ClFN2O2
Molecular Formula
446.90
Molecular Weight
g/mol
446.1197
Exact Mass
Da
7.4
XLogP
Above Lipinski threshold
66
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
719
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=C(C1=CC=C(C=C1)C=CC(=O)O)C2=CC3=C(C=C2)NN=C3)C4=C(C=C(C=C4)F)ClIsomeric SMILES
SMILES: CC/C(=C(/C1=CC=C(C=C1)/C=C/C(=O)O)\C2=CC3=C(C=C2)NN=C3)/C4=C(C=C(C=C4)F)ClSynonyms(20)
Brilanestrant1365888-06-7GDC-0810ARN-8109MM2R1A06RRG-6046DTXSID701336037brilanestrantum(2E)-3-{4-[(1E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL]PHENYL}PROP-2-ENOIC ACIDRefChem:917568SERD ARN-810DTXCID901766125(2E)-3-(4-((1E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)prop-2-enoic acidRO7056118(E)-3-(4-((E)-2-(2-Chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid
Data from PubChem (NCBI)
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