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Name | CHEMBL354183 |
---|---|
Molecular formula | C33H36Cl2N2O6 |
IUPAC name | [(5R)-5-(3,4-dichlorophenyl)-5-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone |
Molecular weight | 627.559 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 5.3 |
Synonyms | 1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[piperidine-4,1'(3'H)-isobenzofuran] |
Inchi Key | FCBBIBBWMCTBQW-XIFFEERXSA-N |
Inchi ID | InChI=1S/C33H36Cl2N2O6/c1-39-28-16-23(17-29(40-2)30(28)41-3)31(38)37-20-33(43-21-37,24-8-9-26(34)27(35)18-24)12-15-36-13-10-32(11-14-36)25-7-5-4-6-22(25)19-42-32/h4-9,16-18H,10-15,19-21H2,1-3H3/t33-/m0/s1 |
PubChem CID | 44382007 |
ChEMBL | CHEMBL354183 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
74758 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
74759 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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