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Name | Bay u9773 |
---|---|
Molecular formula | C27H36O5S |
IUPAC name | 4-[(4S,5R,6E,8E,10E,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylbenzoic acid |
Molecular weight | 472.64 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 6.7 |
Synonyms | CAS_134733-55-4 134733-55-4 MFCD00898723 6(R)-(4-Carboxyphenylthio)-5(S)-hydroxy-7(E),9(E),11(E),14(Z)-eicosatetraenoic acid BDBM85722 [ Show all ] |
Inchi Key | PKJINWOACFYDQN-FFVQPXRTSA-N |
Inchi ID | InChI=1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(28)15-14-17-26(29)30)33-23-20-18-22(19-21-23)27(31)32/h6-7,9-13,16,18-21,24-25,28H,2-5,8,14-15,17H2,1H3,(H,29,30)(H,31,32)/b7-6-,10-9+,12-11+,16-13+/t24-,25+/m0/s1 |
PubChem CID | 57340263 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85722 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
261942 | Cysteinyl leukotriene receptor 2 | Q9NS75 | CYSLTR2 | Homo sapiens (Human) | 346 |
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