BIAdb N-(Formyldeacetyl)thiocolchicine 2769
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2769 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2769 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb N-(Formyldeacetyl)thiocolchicine 2769
| |
| Systematic (IUPAC) name | |
| N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]formamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H23NO5S |
| Mol. mass | 401.47602 |
| 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
401.47602
*Exact Mass
401.129694
*Molecular Formula
C21H23NO5S
*IUPAC NAME
N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]formamide
*Canonical Smiles
COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC
*Isomeric Smiles
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC
*XLogP
1.8
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
5
*Topological Polar Surface Area
73.9
