Molecules/4-Hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-AS-indacene-2-carboxylic acid methyl ester
4-Hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-AS-indacene-2-carboxylic acid methyl ester
methyl (2R,8S)-4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
Molecular Identity
4-Hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-AS-indacene-2-carboxylic acid methyl ester
methyl (2R,8S)-4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
PubChem CID: 5288126
2D Structure
Properties
C26H27N3O8
Molecular Formula
509.50
Molecular Weight
g/mol
509.1798
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
139
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
933
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(C2=CC(=C3C(=C12)C(=O)C(N3)(C)C(=O)OC)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OCIsomeric SMILES
SMILES: C[C@@H]1CN(C2=CC(=C3C(=C12)C(=O)[C@](N3)(C)C(=O)OC)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OCSynonyms(5)
4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTERSCHEMBL19493155DUOQ27459748methyl (2R,8S)-4-hydroxy-2,8-dimethyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate
Data from PubChem (NCBI)
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Molecular Structure
4-Hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-AS-indacene-2-carboxylic acid methyl ester
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Drug Network
Trials and conditions connected to 4-Hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-AS-indacene-2-carboxylic acid methyl ester
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