BIAdb Toxiferine IV 3438
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3438 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3438 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Toxiferine IV 3438
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C40H48N4O4+2 |
| Mol. mass | 648.83352 |
| 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
648.83352
*Exact Mass
648.367556
*Molecular Formula
C40H48N4O4+2
*IUPAC NAME
N/A
*Canonical Smiles
C[N+]12CCC34C1CC(C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C3CC9[N+](CC1)(CC3=CCO)C)O)C1=CC=CC=C41)O)C(=CCO)C2
*Isomeric Smiles
C[N+]12C3C4(C5(N(C6=CC=CC=C46)C7C(C5C(C3)/C(=C/CO)/C1)N8C9(C7C1/C(=C/CO)/C[N+]3(C(C9(C4=CC=CC=C84)CC3)C1)C)O)O)CC2
*XLogP
1.2
*Hydrogen bond donor
4
*Hydrogen bond acceptor
6
*Rotational Bond Count
2
*Topological Polar Surface Area
87.4
