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Name | MLS000552833 |
---|---|
Molecular formula | C34H38N4O5 |
IUPAC name | 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide |
Molecular weight | 582.701 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 5.0 |
Synonyms | AC1ML85S MCULE-4709518581 2-(4-acetamido-N-[2-(1H-indol-3-yl)-1-oxoethyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide BDBM83313 Oprea1_605149 [ Show all ] |
Inchi Key | CLVMGLHYNADTTO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H38N4O5/c1-22(39)36-26-14-16-27(17-15-26)38(32(40)20-24-21-35-29-12-8-7-11-28(24)29)33(34(41)37-25-9-5-4-6-10-25)23-13-18-30(42-2)31(19-23)43-3/h7-8,11-19,21,25,33,35H,4-6,9-10,20H2,1-3H3,(H,36,39)(H,37,41) |
PubChem CID | 3190761 |
ChEMBL | CHEMBL1463367 |
IUPHAR | N/A |
BindingDB | 83313 |
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 |
---|---|---|---|---|---|
45049 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
45050 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
45048 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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