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Name | CHEMBL169318 |
---|---|
Molecular formula | C29H33Cl2N5O5 |
IUPAC name | [(5R)-5-(3,4-dichlorophenyl)-5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone |
Molecular weight | 602.513 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | 1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-(2-pyrimidinyl)piperazine |
Inchi Key | GKKVDJJSVNVCKD-LJAQVGFWSA-N |
Inchi ID | InChI=1S/C29H33Cl2N5O5/c1-38-24-15-20(16-25(39-2)26(24)40-3)27(37)36-18-29(41-19-36,21-5-6-22(30)23(31)17-21)7-10-34-11-13-35(14-12-34)28-32-8-4-9-33-28/h4-6,8-9,15-17H,7,10-14,18-19H2,1-3H3/t29-/m0/s1 |
PubChem CID | 44382405 |
ChEMBL | CHEMBL169318 |
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 |
---|---|---|---|---|---|
98765 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
98766 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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