BIAdb BRN 1516470 1611
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1611 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1611 Link to BIAdb Database] | ||
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| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb BRN 1516470 1611
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H25NO6 |
| Mol. mass | 411.4477 |
| 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
411.4477
*Exact Mass
411.168188
*Molecular Formula
C23H25NO6
*IUPAC NAME
N/A
*Canonical Smiles
CCOC(=O)OC1=C(C2=C(CC3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)OCC
*Isomeric Smiles
CCOC(=O)OC1=C(C2=C(C[C@@H]3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)OCC
*XLogP
4.1
*Hydrogen bond donor
0
*Hydrogen bond acceptor
7
*Rotational Bond Count
8
*Topological Polar Surface Area
74.3
