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Name | SCHEMBL2349417 |
---|---|
Molecular formula | C33H38N6O2 |
IUPAC name | N-[[(3S,5S)-3-(3-aminopropyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide |
Molecular weight | 550.707 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 4.0 |
Synonyms | CHEMBL3902518 |
Inchi Key | BETBALQOLRCOSP-YTMVLYRLSA-N |
Inchi ID | InChI=1S/C33H38N6O2/c34-19-10-17-29-33(41)39(23-28(24-11-4-1-5-12-24)25-13-6-2-7-14-25)20-18-27(36-29)22-35-32(40)31-21-30(37-38-31)26-15-8-3-9-16-26/h1-9,11-16,21,27-29,36H,10,17-20,22-23,34H2,(H,35,40)(H,37,38)/t27-,29-/m0/s1 |
PubChem CID | 57854041 |
ChEMBL | CHEMBL3902518 |
IUPHAR | N/A |
BindingDB | 231869 |
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 |
---|---|---|---|---|---|
533995 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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