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Name | CHEMBL578205 |
---|---|
Molecular formula | C32H42N6O4 |
IUPAC name | N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide |
Molecular weight | 574.726 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | BDBM50302267 SCHEMBL2341861 (R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide |
Inchi Key | MCLMTVYPCCWVBH-AREMUKBSSA-N |
Inchi ID | InChI=1S/C32H42N6O4/c1-6-36-15-17-37(18-16-36)27-10-7-9-24-25(27)20-38(32(24)40)26(23-12-13-28(41-4)29(19-23)42-5)11-8-14-33-31(39)30-21(2)34-35-22(30)3/h7,9-10,12-13,19,26H,6,8,11,14-18,20H2,1-5H3,(H,33,39)(H,34,35)/t26-/m1/s1 |
PubChem CID | 25124736 |
ChEMBL | CHEMBL578205 |
IUPHAR | N/A |
BindingDB | 50302267 |
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 |
---|---|---|---|---|---|
202110 | Urotensin-2 receptor | Q9UKP6 | UTS2R | Homo sapiens (Human) | 389 |
202111 | Urotensin-2 receptor | P49684 | Uts2r | Rattus norvegicus (Rat) | 386 |
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