Etavopivat
(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2-phenylpropan-1-one
Molecular Identity
Etavopivat
(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2-phenylpropan-1-one
PubChem CID: 135338378
2D Structure
Properties
C22H23N3O6S
Molecular Formula
457.50
Molecular Weight
g/mol
457.1308
Exact Mass
Da
-0.8
XLogP
Drug-like (Lipinski: < 5)
118
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
832
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Etavopivat2245053-57-8FT-4202Etavopivat [INN]Etavopivat [USAN]V4E0A9M44Q(S)-1-(5-((2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-3-hydroxy-2-phenylpropan-1-oneFT42021-Propanone, 1-(5-((2,3-dihydro-1,4-dioxino(2,3-b)pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo(3,4-C)pyrrol-2(1H)-yl)-3-hydroxy-2-phenyl-, (2S)-1-Propanone, 1-[5-[(2,3-dihydro-1,4-dioxino[2,3-b]pyridin-7-yl)sulfonyl]-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-hydroxy-2-phenyl-, (2S)-(S)-1-(5-((2,3-dihydro-(1,4)dioxino(2,3-b)pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo(3,4-c)pyrrol-2(1H)-yl)-3-hydroxy-2-phenylpropan-1-oneRefChem:137997PKR Activator FT-4202PK-R Activator FT-4202FT 4202
Data from PubChem (NCBI)
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