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Name | CHEMBL353394 |
---|---|
Molecular formula | C37H43Cl2N3O6 |
IUPAC name | [(5R)-5-(3,4-dichlorophenyl)-5-[2-[4-phenyl-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone |
Molecular weight | 696.666 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 5.9 |
Synonyms | BDBM50217522 SCHEMBL8171393 1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-phenyl-4-(pyrrolizinocarbonyl)piperidine |
Inchi Key | KQGAWUKPLGFTBA-QNGWXLTQSA-N |
Inchi ID | InChI=1S/C37H43Cl2N3O6/c1-45-31-21-26(22-32(46-2)33(31)47-3)34(43)42-24-37(48-25-42,28-11-12-29(38)30(39)23-28)15-20-40-18-13-36(14-19-40,27-9-5-4-6-10-27)35(44)41-16-7-8-17-41/h4-6,9-12,21-23H,7-8,13-20,24-25H2,1-3H3/t37-/m0/s1 |
PubChem CID | 44382010 |
ChEMBL | CHEMBL353394 |
IUPHAR | N/A |
BindingDB | 50217522 |
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 |
---|---|---|---|---|---|
175488 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
175487 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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