Safusidenib
(E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid
Molecular Identity
Safusidenib
(E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid
PubChem CID: 130306983
2D Structure
Properties
C25H18Cl3FN2O4
Molecular Formula
535.80
Molecular Weight
g/mol
534.0316
Exact Mass
Da
6.6
XLogP
Above Lipinski threshold
85.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
834
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Safusidenib1898206-17-1Safusidenib [INN]RCK8KK7SB9DS-1001(E)-3-(1-(5-(1-Fluoro-1-methyl-ethyl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-indol-4-yl)prop-2-enoic acid(E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid2-Propenoic acid, 3-(1-((5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl)carbonyl)-3-methyl-1H-indol-4-yl)-, (2E)-(E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl)-3-methylindol-4-yl)prop-2-enoic acid2-Propenoic acid, 3-[1-[[5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1H-indol-4-yl]-, (2E)-RefChem:180830AB218AB 218AB-218DS 1001
Data from PubChem (NCBI)
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