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Name | CHEMBL171381 |
---|---|
Molecular formula | C31H35Cl2N3O6 |
IUPAC name | [(5R)-5-(3,4-dichlorophenyl)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone |
Molecular weight | 616.536 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | 1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-(2-pyridinyl)-4-hydroxypiperidine |
Inchi Key | GGHMYUMZXWTTQT-HKBQPEDESA-N |
Inchi ID | InChI=1S/C31H35Cl2N3O6/c1-39-25-16-21(17-26(40-2)28(25)41-3)29(37)36-19-31(42-20-36,22-7-8-23(32)24(33)18-22)11-15-35-13-9-30(38,10-14-35)27-6-4-5-12-34-27/h4-8,12,16-18,38H,9-11,13-15,19-20H2,1-3H3/t31-/m0/s1 |
PubChem CID | 44382158 |
ChEMBL | CHEMBL171381 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
95701 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
95702 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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