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Name | CHEMBL421831 |
---|---|
Molecular formula | C32H42N2O5 |
IUPAC name | (Z)-6-[(1R,5S)-2-[[4-[4-(2-amino-2-oxoethyl)phenyl]phenyl]methoxy]-5-(azepan-1-yl)cyclopentyl]oxyhex-4-enoic acid |
Molecular weight | 534.697 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 1.8 |
Synonyms | BDBM50391296 |
Inchi Key | CEKMCURBOQYMIO-KWDMWAAPSA-N |
Inchi ID | InChI=1S/C32H42N2O5/c33-30(35)22-24-9-13-26(14-10-24)27-15-11-25(12-16-27)23-39-29-18-17-28(34-19-5-1-2-6-20-34)32(29)38-21-7-3-4-8-31(36)37/h3,7,9-16,28-29,32H,1-2,4-6,8,17-23H2,(H2,33,35)(H,36,37)/b7-3-/t28-,29?,32+/m0/s1 |
PubChem CID | 44374481 |
ChEMBL | CHEMBL421831 |
IUPHAR | N/A |
BindingDB | 50391296 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
39978 | Thromboxane A2 receptor | P34978 | Tbxa2r | Rattus norvegicus (Rat) | 341 |
39979 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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