Molecules/(5s,5as,8as,9s)-8-Oxo-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-Hexahydrofuro[3',4':6,7]naphtho[2,3-D][1,3]dioxol-5-Yl 4-{[4-({[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]acetyl}amino)butyl]amino}-4-Oxobutanoate
(5s,5as,8as,9s)-8-Oxo-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-Hexahydrofuro[3',4':6,7]naphtho[2,3-D][1,3]dioxol-5-Yl 4-{[4-({[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]acetyl}amino)butyl]amino}-4-Oxobutanoate
[(5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-[4-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]butylamino]-4-oxobutanoate
Molecular Identity
(5s,5as,8as,9s)-8-Oxo-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-Hexahydrofuro[3',4':6,7]naphtho[2,3-D][1,3]dioxol-5-Yl 4-{[4-({[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]acetyl}amino)butyl]amino}-4-Oxobutanoate
[(5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-[4-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]butylamino]-4-oxobutanoate
PubChem CID: 46880558
2D Structure
Properties
C49H50ClN3O13
Molecular Formula
924.40
Molecular Weight
g/mol
923.3032
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
188
TPSA
May have limited oral absorption
2
H-Bond Donors
13
H-Bond Acceptors
1690
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCCCNC(=O)CCC(=O)OC4C5COC(=O)C5C(C6=CC7=C(C=C46)OCO7)C8=CC(=C(C(=C8)OC)OC)OCIsomeric SMILES
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@H]4[C@@H]5COC(=O)[C@H]5[C@H](C6=CC7=C(C=C46)OCO7)C8=CC(=C(C(=C8)OC)OC)OCSynonyms(6)
CHEMBL1076638(5s,5as,8as,9s)-8-Oxo-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-Hexahydrofuro[3',4':6,7]naphtho[2,3-D][1,3]dioxol-5-Yl 4-{[4-({[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]acetyl}amino)butyl]amino}-4-OxobutanoateBDBM50312668Q27461595IXPN-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
Data from PubChem (NCBI)
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Molecular Structure
(5s,5as,8as,9s)-8-Oxo-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-Hexahydrofuro[3',4':6,7]naphtho[2,3-D][1,3]dioxol-5-Yl 4-{[4-({[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]acetyl}amino)butyl]amino}-4-Oxobutanoate
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Drug Network
Trials and conditions connected to (5s,5as,8as,9s)-8-Oxo-9-(3,4,5-Trimethoxyphenyl)-5,5a,6,8,8a,9-Hexahydrofuro[3',4':6,7]naphtho[2,3-D][1,3]dioxol-5-Yl 4-{[4-({[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1h-Indol-3-Yl]acetyl}amino)butyl]amino}-4-Oxobutanoate
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