BIAdb LS-97010 2565
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2565 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2565 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb LS-97010 2565
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H22ClNO2 |
| Mol. mass | 379.87928 |
| 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
379.87928
*Exact Mass
379.133907
*Molecular Formula
C23H22ClNO2
*IUPAC NAME
N/A
*Canonical Smiles
C1C[NH+](C2CC3=C(C4=C2C1=CC=C4)C(=C(C=C3)O)O)CC5=CC=CC=C5.[Cl-]
*Isomeric Smiles
C1C[NH+]([C@@H]2CC3=C(C4=C2C1=CC=C4)C(=C(C=C3)O)O)CC5=CC=CC=C5.[Cl-]
*XLogP
N/A
*Hydrogen bond donor
3
*Hydrogen bond acceptor
3
*Rotational Bond Count
2
*Topological Polar Surface Area
44.9
