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Name | CHEMBL369246 |
---|---|
Molecular formula | C35H41F2N3O6 |
IUPAC name | 1-[2-[(5R)-5-(3,4-difluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-N,N-dimethyl-4-phenylpiperidine-4-carboxamide |
Molecular weight | 637.725 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 4.4 |
Synonyms | BDBM50217514 N,N-Dimethyl-1-[2-[(5R)-3-(3,4,5-trimethoxybenzoyl)-5-(3,4-difluorophenyl)-5alpha-oxazolidinyl]ethyl]-4-phenylpiperidine-4-carboxamide |
Inchi Key | IPRLIIWBGNQKIP-DHUJRADRSA-N |
Inchi ID | InChI=1S/C35H41F2N3O6/c1-38(2)33(42)34(25-9-7-6-8-10-25)13-16-39(17-14-34)18-15-35(26-11-12-27(36)28(37)21-26)22-40(23-46-35)32(41)24-19-29(43-3)31(45-5)30(20-24)44-4/h6-12,19-21H,13-18,22-23H2,1-5H3/t35-/m0/s1 |
PubChem CID | 44382094 |
ChEMBL | CHEMBL369246 |
IUPHAR | N/A |
BindingDB | 50217514 |
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 |
---|---|---|---|---|---|
138894 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
138893 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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