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Name | CHEMBL3941024 |
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Molecular formula | C19H22ClN3O4S |
IUPAC name | methyl 2-(4-chlorophenyl)-2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-ylidene]acetate |
Molecular weight | 423.912 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.7 |
Synonyms | methyl 2-(4-chlorophenyl)-2-(1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetate SCHEMBL16323564 AJJRKLYODDLARY-UHFFFAOYSA-N methyl 2-(4-chlorophenyl)-2-(1-((3 ,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetate |
Inchi Key | AJJRKLYODDLARY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H22ClN3O4S/c1-12-18(13(2)22-21-12)28(25,26)23-10-8-15(9-11-23)17(19(24)27-3)14-4-6-16(20)7-5-14/h4-7H,8-11H2,1-3H3,(H,21,22) |
PubChem CID | 86580540 |
ChEMBL | CHEMBL3941024 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
536118 | Prokineticin receptor 1 | Q8TCW9 | PROKR1 | Homo sapiens (Human) | 393 |
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