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Name | CHEMBL505263 |
---|---|
Molecular formula | C35H39F3N6O2 |
IUPAC name | (7R)-7-[(2R)-butan-2-yl]-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide |
Molecular weight | 632.732 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 6.4 |
Synonyms | BDBM50413334 |
Inchi Key | FAYLESWWEBZCNO-JPZYQRIQSA-N |
Inchi ID | InChI=1S/C35H39F3N6O2/c1-3-22(2)31-34(46)42-28-12-11-26(39-14-17-43-15-5-4-6-16-43)20-27(28)32-41-29-19-24(10-13-30(29)44(31)32)33(45)40-21-23-8-7-9-25(18-23)35(36,37)38/h7-13,18-20,22,31,39H,3-6,14-17,21H2,1-2H3,(H,40,45)(H,42,46)/t22-,31-/m1/s1 |
PubChem CID | 136233384 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50413334 |
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 |
---|---|---|---|---|---|
559594 | Mas-related G-protein coupled receptor member X1 | Q96LB2 | MRGPRX1 | Homo sapiens (Human) | 322 |
559595 | Mas-related G-protein coupled receptor member X2 | Q96LB1 | MRGPRX2 | Homo sapiens (Human) | 330 |
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