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Name | CHEMBL569689 |
---|---|
Molecular formula | C33H40N4O6S |
IUPAC name | N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]methanesulfonamide |
Molecular weight | 620.765 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM50302245 N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)methanesulfonamide |
Inchi Key | CTJVAFHXNBYPPI-YIXXDRMTSA-N |
Inchi ID | InChI=1S/C33H40N4O6S/c1-23(24-10-6-5-7-11-24)35-18-20-36(21-19-35)28-13-8-12-26-31(28)33(39)37(32(26)38)27(14-9-17-34-44(4,40)41)25-15-16-29(42-2)30(22-25)43-3/h5-8,10-13,15-16,22-23,27,34H,9,14,17-21H2,1-4H3/t23-,27-/m1/s1 |
PubChem CID | 45486917 |
ChEMBL | CHEMBL569689 |
IUPHAR | N/A |
BindingDB | 50302245 |
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 |
---|---|---|---|---|---|
50160 | Urotensin-2 receptor | P49684 | Uts2r | Rattus norvegicus (Rat) | 386 |
50161 | Urotensin-2 receptor | Q9UKP6 | UTS2R | Homo sapiens (Human) | 389 |
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