E-7386
(6S,9aS)-N-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
Molecular Identity
E-7386
(6S,9aS)-N-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
PubChem CID: 91810345
2D Structure
Properties
C39H48FN9O4
Molecular Formula
725.90
Molecular Weight
g/mol
725.3813
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
119
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
1280
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
E-73861799824-08-0E7386I0DX1FG55YE 7386(6S,9aS)-2-allyl-N-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide(6S,9aS)-2-Allyl-N-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide(6S,9aS)-8-((6-(3-(4-Ethyl-1-piperazinyl)-1-azetidinyl)-2-pyridinyl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)hexahydro-4,7-dioxo-N-(phenylmethyl)-2-(2-propen-1-yl)-2H-pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide2H-Pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide, 8-((6-(3-(4-ethyl-1-piperazinyl)-1-azetidinyl)-2-pyridinyl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)hexahydro-4,7-dioxo-N-(phenylmethyl)-2-(2-propen-1-yl)-, (6S,9aS)-E7386 compoundRefChem:136146CBP/beta-catenin Modulator E7386UNII-I0DX1FG55Y(6S,9aS)-N-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamideE-7386?
Data from PubChem (NCBI)
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