BIAdb 10-alpha-S-glutathionylmorphine 1004
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1004 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1004 Link to BIAdb Database] | ||
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Current revision
| BIAdb 10-alpha-S-glutathionylmorphine 1004
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C27H34N4O9S |
| Mol. mass | 590.64526 |
| 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
590.64526
*Exact Mass
590.204649
*Molecular Formula
C27H34N4O9S
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC23C4C1C(C5=C2C(=C(C=C5)O)OC3C(C=C4)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
*Isomeric Smiles
CN1CC[C@]23[C@@H]4[C@H]1C(C5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
*XLogP
-5.5
*Hydrogen bond donor
7
*Hydrogen bond acceptor
11
*Rotational Bond Count
11
*Topological Polar Surface Area
212
