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Name | CHEMBL169132 |
---|---|
Molecular formula | C33H36F2N2O6S |
IUPAC name | [(5R)-5-(3,4-difluorophenyl)-5-[2-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone |
Molecular weight | 626.716 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 0 |
XlogP | 3.7 |
Synonyms | BDBM50217512 1'-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-difluorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[benzo[c]thiophene-1(3H),4'-piperidine]2-oxide |
Inchi Key | IFGSPDNNHKRTOO-UJBMNDQASA-N |
Inchi ID | InChI=1S/C33H36F2N2O6S/c1-40-28-16-23(17-29(41-2)30(28)42-3)31(38)37-20-32(43-21-37,24-8-9-26(34)27(35)18-24)10-13-36-14-11-33(12-15-36)25-7-5-4-6-22(25)19-44(33)39/h4-9,16-18H,10-15,19-21H2,1-3H3/t32-,44?/m0/s1 |
PubChem CID | 44382713 |
ChEMBL | CHEMBL169132 |
IUPHAR | N/A |
BindingDB | 50217512 |
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 |
---|---|---|---|---|---|
131846 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
131847 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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