H3B-6545
(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;hydrochloride
Molecular Identity
H3B-6545
(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;hydrochloride
PubChem CID: 124091099
2D Structure
Properties
C30H30ClF4N5O2
Molecular Formula
604.00
Molecular Weight
g/mol
603.2024
Exact Mass
Da
83.1
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
906
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)C(=O)C=CCNCCOC1=NC=C(C=C1)C(=C(CC(F)(F)F)C2=CC=CC=C2)C3=CC4=C(NN=C4C=C3)F.ClIsomeric SMILES
SMILES: CN(C)C(=O)/C=C/CNCCOC1=NC=C(C=C1)/C(=C(/CC(F)(F)F)\C2=CC=CC=C2)/C3=CC4=C(NN=C4C=C3)F.ClSynonyms(20)
2052132-51-962GM7VW6AOH3B 6545RefChem:144965SERCA H3B-6545H3B6545SELECTIVE ESTROGEN RECEPTOR COVALENT ANTAGONIST H3B-6545H3B-6545H3B-6545 HydrochlorideH3B-6545 (hydrochloride)(E)-N,N-dimethyl-4-[2-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridin-2-yl]oxyethylamino]but-2-enamide;hydrochlorideC30H30ClF4N5O2orb1709501CHEMBL6068514SCHEMBL18261090
Data from PubChem (NCBI)
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