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Name | MLS000911273 |
---|---|
Molecular formula | C29H32N2O3S |
IUPAC name | benzyl N-[(4S)-7-oxo-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-4-yl]carbamate |
Molecular weight | 488.646 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.7 |
Synonyms | N-[(4S)-7-oxo-1-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-4-azepanyl]carbamic acid (phenylmethyl) ester benzyl N-[(4S)-7-oxo-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-4-yl]carbamate cid_24793611 NCGC00186856-01 HMS2194O23 [ Show all ] |
Inchi Key | CRKBCIORVKUUMV-UIOOFZCWSA-N |
Inchi ID | InChI=1S/C29H32N2O3S/c32-28-17-16-25(30-29(33)34-21-24-12-6-2-7-13-24)18-19-31(28)26(20-23-10-4-1-5-11-23)22-35-27-14-8-3-9-15-27/h1-15,25-26H,16-22H2,(H,30,33)/t25-,26-/m0/s1 |
PubChem CID | 24793611 |
ChEMBL | CHEMBL1315151 |
IUPHAR | N/A |
BindingDB | 61142 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
48848 | G-protein coupled receptor 55 | Q9Y2T6 | GPR55 | Homo sapiens (Human) | 319 |
48849 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
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