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Name | CHEMBL353480 |
---|---|
Molecular formula | C33H37Cl2N3O6 |
IUPAC name | 1-[4-[4-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone |
Molecular weight | 642.574 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 5.3 |
Synonyms | 1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-(4-acetylphenyl)piperazine BDBM50217518 |
Inchi Key | CRTJVWSMULCYJN-XIFFEERXSA-N |
Inchi ID | InChI=1S/C33H37Cl2N3O6/c1-22(39)23-5-8-26(9-6-23)37-15-13-36(14-16-37)12-11-33(25-7-10-27(34)28(35)19-25)20-38(21-44-33)32(40)24-17-29(41-2)31(43-4)30(18-24)42-3/h5-10,17-19H,11-16,20-21H2,1-4H3/t33-/m0/s1 |
PubChem CID | 44382141 |
ChEMBL | CHEMBL353480 |
IUPHAR | N/A |
BindingDB | 50217518 |
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 |
---|---|---|---|---|---|
49104 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
49103 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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