Fim 1
[6'-acetyloxy-5-[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
Fim 1
[6'-acetyloxy-5-[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: 132906
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(C=C(C=C4)C(=O)NCCCN5C=C(C6=CC=CC=C65)C7=C(C(=O)NC7=O)C8=CN(C9=CC=CC=C98)C)C(=O)O3)C1=C(O2)C=C(C=C1)OC(=O)CIsomeric SMILES
SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)NCCCN5C=C(C6=CC=CC=C65)C7=C(C(=O)NC7=O)C8=CN(C9=CC=CC=C98)C)C(=O)O3)C1=C(O2)C=C(C=C1)OC(=O)CSynonyms(10)
Fim-1Fim 1150206-03-4DTXSID60164495RefChem:140451DTXCID9086986SCHEMBL29376084AKOS0253945395-[(3-{3-[4-(1-Methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl)carbamoyl]-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-3',6'-diyl diacetateSpiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-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-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Fim 1
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