BIAdb CID541727 1764
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1764 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1764 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb CID541727 1764
| |
| Systematic (IUPAC) name | |
| N-(3,10-dihydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)-2,2,2-trifluoroacetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H18F3NO6 |
| Mol. mass | 425.35523 |
| 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
425.35523
*Exact Mass
425.108622
*Molecular Formula
C20H18F3NO6
*IUPAC NAME
N-(3,10-dihydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)-2,2,2-trifluoroacetamide
*Canonical Smiles
COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)O)NC(=O)C(F)(F)F)O
*Isomeric Smiles
N/A
*XLogP
1.5
*Hydrogen bond donor
3
*Hydrogen bond acceptor
9
*Rotational Bond Count
3
*Topological Polar Surface Area
105
