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Name | CHEMBL317209 |
---|---|
Molecular formula | C25H23F6N3O3S |
IUPAC name | 1'-[3,5-bis(trifluoromethyl)benzoyl]-2-methyl-5-(thiophen-2-ylmethyl)spiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione |
Molecular weight | 559.527 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 3.5 |
Synonyms | BDBM50217089 1'-[3,5-Bis(trifluoromethyl)benzoyl]-3-(2-thenyl)-7-methyl-3,7-diazaspiro[bicyclo[3.3.0]octane-2,4'-piperidine]-6,8-dione |
Inchi Key | AMSYJCKYQVDRSP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H23F6N3O3S/c1-32-21(36)18-13-34(12-17-3-2-8-38-17)23(19(18)22(32)37)4-6-33(7-5-23)20(35)14-9-15(24(26,27)28)11-16(10-14)25(29,30)31/h2-3,8-11,18-19H,4-7,12-13H2,1H3 |
PubChem CID | 44334489 |
ChEMBL | CHEMBL317209 |
IUPHAR | N/A |
BindingDB | 50217089 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
9226 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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