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Name | CHEMBL353596 |
---|---|
Molecular formula | C33H37ClN2O6S |
IUPAC name | [(5R)-5-(4-chlorophenyl)-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 | 625.177 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | 1'-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(4-chlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[benzo[c]thiophene-1(3H),4'-piperidine]2-oxide BDBM50217528 |
Inchi Key | HFTDAWJFAQMENN-HYXMPAGBSA-N |
Inchi ID | InChI=1S/C33H37ClN2O6S/c1-39-28-18-24(19-29(40-2)30(28)41-3)31(37)36-21-32(42-22-36,25-8-10-26(34)11-9-25)12-15-35-16-13-33(14-17-35)27-7-5-4-6-23(27)20-43(33)38/h4-11,18-19H,12-17,20-22H2,1-3H3/t32-,43?/m0/s1 |
PubChem CID | 44382092 |
ChEMBL | CHEMBL353596 |
IUPHAR | N/A |
BindingDB | 50217528 |
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 |
---|---|---|---|---|---|
113736 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
113735 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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