BIAdb Thalcimine 3382
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m (1 revision) |
(→External Links) |
||
| Line 84: | Line 84: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=3382 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3382 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Thalcimine 3382
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C38H40N2O7 |
| Mol. mass | 636.7334 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Thalictrum simplex
[edit] Function
Anticancer
[edit] General Properties
*Molecular Weight
636.7334
*Exact Mass
636.283552
*Molecular Formula
C38H40N2O7
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5
*Isomeric Smiles
CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5
*XLogP
5.8
*Hydrogen bond donor
0
*Hydrogen bond acceptor
9
*Rotational Bond Count
5
*Topological Polar Surface Area
80.2
