General Information of the Compound
| Compound ID |
CP0053215
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| Compound Name |
1,1'-(Deca-4,6-diyne-1,10-diyl)bis(4-amino-2-methylquinolinium) Diiodide Hydrate
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| Synonyms |
1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium)
1-[10-(4-amino-2-methylquinolyl)decyl]-2-methyl-4-quinolylamine
6707-58-0
C30H40N4
CHEBI:41872
CHEMBL121663
DEQ
Decamine
Dekadin
Dekamin
Dequadin
Dequadin chloride
Dequalin chloride
Dequavagyn
Dequavet
E7QC7V26B8
GNF-Pf-5483
Ivazil
Labosept
Oralgol
Polycidine
Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-
Rumilet
Sanoral
Sentril
Solvidont
Sorot
UNII-E7QC7V26B8
dequalinium
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| Structure |
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| Formula |
C30H40N4+2
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| Molecular Weight |
456.678
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| Canonical SMILES |
Cc1cc(=[NH2+])c2ccccc2n1CCCCCCCCCCn1c(C)cc(=[NH2+])c2ccccc12
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| InChI |
InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
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| InChIKey |
PCSWXVJAIHCTMO-UHFFFAOYSA-P
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| CAS |
6707-58-0
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( dequalinium )
| Drug Name | dequalinium | ||
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| Indication | |||
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