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Name | CHEMBL310173 |
---|---|
Molecular formula | C34H39F2N3O5 |
IUPAC name | 1-[2-[3-(3,4-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide |
Molecular weight | 607.699 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | BDBM50290308 SCHEMBL8637866 1-{2-[3-(3,4-Difluoro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide |
Inchi Key | LFEFDECYHDBXPR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H39F2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41) |
PubChem CID | 44319356 |
ChEMBL | CHEMBL310173 |
IUPHAR | N/A |
BindingDB | 50290308 |
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 |
---|---|---|---|---|---|
185914 | Substance-K receptor | P30549 | Tacr2 | Mus musculus (Mouse) | 384 |
185913 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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