Molecules/3',6'-Bis(acetyloxy)-N-(3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxamide
3',6'-Bis(acetyloxy)-N-(3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxamide
[6'-acetyloxy-6-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylcarbamoyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
Molecular Identity
3',6'-Bis(acetyloxy)-N-(3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxamide
[6'-acetyloxy-6-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylcarbamoyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
PubChem CID: 44153045
2D Structure
Properties
C49H36N4O10
Molecular Formula
840.80
Molecular Weight
g/mol
840.2431
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
173
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
1850
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)C(=O)NCCCN6C=C(C7=CC=CC=C76)C8=C(C(=O)NC8=O)C9=CN(C1=CC=CC=C19)C)C(=O)O3Isomeric SMILES
SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)C(=O)NCCCN6C=C(C7=CC=CC=C76)C8=C(C(=O)NC8=O)C9=CN(C1=CC=CC=C19)C)C(=O)O3Synonyms(10)
Fim 2Fim-2150206-02-3RefChem:9104303',6'-Bis(acetyloxy)-N-(3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxamideSpiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxamide, 3',6'-bis(acetyloxy)-N-(3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl)-3-oxo-SCHEMBL29388460DTXSID909338933',6'-Bis(acetyloxy)-N-(3-{3-[5-hydroxy-4-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyrrol-3-yl]-1H-indol-1-yl}propyl)-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-6-carboximidic acid3',6'-Bis(acetyloxy)-N-(3-{3-[5-hydroxy-4-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyrrol-3-yl]-1H-indol-1-yl}propyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboximidic acid
Data from PubChem (NCBI)
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Molecular Structure
3',6'-Bis(acetyloxy)-N-(3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxamide
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Drug Network
Trials and conditions connected to 3',6'-Bis(acetyloxy)-N-(3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxamide
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