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Name | SCHEMBL14150876 |
---|---|
Molecular formula | C21H19F3N4O3 |
IUPAC name | 1-[3-(difluoromethoxy)phenyl]-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide |
Molecular weight | 432.403 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | US9029370, 75 BDBM158281 |
Inchi Key | AYSYQXMTYDSFRX-LJQANCHMSA-N |
Inchi ID | InChI=1S/C21H19F3N4O3/c22-17-8-13(19-11-25-6-7-30-19)4-5-18(17)27-20(29)14-10-26-28(12-14)15-2-1-3-16(9-15)31-21(23)24/h1-5,8-10,12,19,21,25H,6-7,11H2,(H,27,29)/t19-/m1/s1 |
PubChem CID | 71086935 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 158281 |
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 |
---|---|---|---|---|---|
557786 | Trace amine-associated receptor 1 | Q923Y8 | Taar1 | Mus musculus (Mouse) | 332 |
557787 | Trace amine-associated receptor 1 | Q923Y9 | Taar1 | Rattus norvegicus (Rat) | 332 |
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