BIAdb NSC 186305 2823
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2823 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2823 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb NSC 186305 2823
| |
| Systematic (IUPAC) name | |
| N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C28H29NO5S |
| Mol. mass | 491.59856 |
| 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
491.59856
*Exact Mass
491.176644
*Molecular Formula
C28H29NO5S
*IUPAC NAME
N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SCC4=CC=CC=C4)OC)OC)OC
*Isomeric Smiles
N/A
*XLogP
4.1
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
7
*Topological Polar Surface Area
73.9
