BIAdb LS-178516 2557
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m |
(→External Links) |
||
| (One intermediate revision not shown.) | |||
| Line 82: | Line 82: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=2557 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2557 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb LS-178516 2557
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C35H41N2O13P |
| Mol. mass | 728.679401 |
| 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
728.679401
*Exact Mass
728.234626
*Molecular Formula
C35H41N2O13P
*IUPAC NAME
N/A
*Canonical Smiles
CC(=O)NC1=CC=C(C=C1)O.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O
*Isomeric Smiles
CC(=O)NC1=CC=C(C=C1)O.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O
*XLogP
N/A
*Hydrogen bond donor
7
*Hydrogen bond acceptor
14
*Rotational Bond Count
5
*Topological Polar Surface Area
233
