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Name | SCHEMBL565136 |
---|---|
Molecular formula | C26H33ClN2O3 |
IUPAC name | 1-benzyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide |
Molecular weight | 457.011 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.9 |
Synonyms | BDBM121129 US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide CHEMBL3646334 |
Inchi Key | IOXBZEKQVLIIQH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3 |
PubChem CID | 58080413 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 121129 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
534518 | Prokineticin receptor 2 | Q8NFJ6 | PROKR2 | Homo sapiens (Human) | 384 |
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