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Name | SCHEMBL2349052 |
---|---|
Molecular formula | C29H32Cl2N4O2 |
IUPAC name | N-[[(3S,5S)-3-(2-aminoethyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3,4-dichlorobenzamide |
Molecular weight | 539.501 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.6 |
Synonyms | US9340517, 280 CHEMBL3900891 BDBM231893 |
Inchi Key | BWKKOIFSAZINTN-HOFKKMOUSA-N |
Inchi ID | InChI=1S/C29H32Cl2N4O2/c30-25-12-11-22(17-26(25)31)28(36)33-18-23-14-16-35(29(37)27(34-23)13-15-32)19-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,23-24,27,34H,13-16,18-19,32H2,(H,33,36)/t23-,27-/m0/s1 |
PubChem CID | 46896762 |
ChEMBL | CHEMBL3900891 |
IUPHAR | N/A |
BindingDB | 231893 |
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 |
---|---|---|---|---|---|
534044 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
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