BIAdb LS-87157 2562
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2562 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2562 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb LS-87157 2562
| |
| Systematic (IUPAC) name | |
| (E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-[3-(2-morpholin-4-ium-4-ylethylamino)-3-oxopropoxy]azanium dichloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C29H38Cl2N4O7 |
| Mol. mass | 625.54062 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
625.54062
*Exact Mass
624.211755
*Molecular Formula
C29H38Cl2N4O7
*IUPAC NAME
(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-[3-(2-morpholin-4-ium-4-ylethylamino)-3-oxopropoxy]azanium dichloride
*Canonical Smiles
COC1=C(C=C(C=C1)C(=[NH+]OCCC(=O)NCC[NH+]2CCOCC2)C3=NC=CC4=CC(=C(C=C43)OC)OC)OC.[Cl-].[Cl-]
*Isomeric Smiles
COC1=C(C=C(C=C1)/C(=[NH+]OCCC(=O)NCC[NH+]2CCOCC2)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC.[Cl-].[Cl-]
*XLogP
N/A
*Hydrogen bond donor
3
*Hydrogen bond acceptor
10
*Rotational Bond Count
13
*Topological Polar Surface Area
116
