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Name | CHEMBL576341 |
---|---|
Molecular formula | C28H39N3O6S2 |
IUPAC name | N-cyclobutyl-1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]piperidin-4-amine |
Molecular weight | 577.755 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | BDBM50299340 N-cyclobutyl-1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)piperidin-4-amine |
Inchi Key | YLVPPCIRFCDKTO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H39N3O6S2/c1-36-25-12-13-28(27(20-25)37-2)39(34,35)31-24(11-10-21-6-3-4-9-26(21)31)16-19-38(32,33)30-17-14-23(15-18-30)29-22-7-5-8-22/h3-4,6,9,12-13,20,22-24,29H,5,7-8,10-11,14-19H2,1-2H3 |
PubChem CID | 45483202 |
ChEMBL | CHEMBL576341 |
IUPHAR | N/A |
BindingDB | 50299340 |
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 |
---|---|---|---|---|---|
413299 | Vasopressin V1a receptor | P37288 | AVPR1A | Homo sapiens (Human) | 418 |
413300 | Vasopressin V1b receptor | P48974 | Avpr1b | Rattus norvegicus (Rat) | 425 |
413301 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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