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Name | CHEMBL503202 |
---|---|
Molecular formula | C34H35F3N6O3 |
IUPAC name | (7S)-2-(3-acetamidopyrrolidin-1-yl)-7-butan-2-yl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide |
Molecular weight | 632.688 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.2 |
Synonyms | N/A |
Inchi Key | GLKQJMFNFORNFC-RXQDXVOQSA-N |
Inchi ID | InChI=1S/C34H35F3N6O3/c1-4-19(2)30-33(46)41-27-10-9-25(42-13-12-24(18-42)39-20(3)44)16-26(27)31-40-28-15-22(8-11-29(28)43(30)31)32(45)38-17-21-6-5-7-23(14-21)34(35,36)37/h5-11,14-16,19,24,30H,4,12-13,17-18H2,1-3H3,(H,38,45)(H,39,44)(H,41,46)/t19?,24?,30-/m0/s1 |
PubChem CID | 136036237 |
ChEMBL | CHEMBL503202 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
560404 | Mas-related G-protein coupled receptor member X1 | Q96LB2 | MRGPRX1 | Homo sapiens (Human) | 322 |
560405 | Mas-related G-protein coupled receptor member X2 | Q96LB1 | MRGPRX2 | Homo sapiens (Human) | 330 |
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