THOS Streptonigrin
5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethylimidazo[4,5-h]quinolin-8-yl)-3-methylpyridine-2-carboxylic acid
Molecular Identity
THOS Streptonigrin
5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethylimidazo[4,5-h]quinolin-8-yl)-3-methylpyridine-2-carboxylic acid
PubChem CID: 247673
2D Structure
Properties
C28H27N5O7
Molecular Formula
545.50
Molecular Weight
g/mol
545.1910
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
182
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=C(C4=NC(N=C34)(C)C)OC)O)N)C5=C(C(=C(C=C5)OC)OC)OIsomeric SMILES
SMILES: CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=C(C4=NC(N=C34)(C)C)OC)O)N)C5=C(C(=C(C=C5)OC)OC)OSynonyms(20)
THOS StreptonigrinIPASIsopropylideneazastreptonigrinImidazoquinolineAzastreptonigrin, isopropylidene-Streptonigrin tetrahydrooximeIsopropylidine azastreptonigrinNSC-6270915964-31-5Streptonigrin, tetrahydro-, pseudooximeNSC627090M3IRN9CDJ2-Pyridinecarboxylic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-Picolinic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-STREPTONIGRIN-AZA, ISOPROPYLIDENE
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to THOS Streptonigrin
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