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Name | CHEMBL62902 |
---|---|
Molecular formula | C26H21F3N4S |
IUPAC name | 3-phenyl-8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene |
Molecular weight | 478.537 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 7.4 |
Synonyms | BDBM50407758 SCHEMBL7303643 |
Inchi Key | HEUZTEKWBIBQQP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H21F3N4S/c27-26(28,29)19-8-4-9-20(16-19)31-12-14-32(15-13-31)24-22-10-5-11-33(22)23-21(17-34-25(23)30-24)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2 |
PubChem CID | 10576618 |
ChEMBL | CHEMBL62902 |
IUPHAR | N/A |
BindingDB | 50407758 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
113163 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
113161 | 5-hydroxytryptamine receptor 1B | P28564 | Htr1b | Rattus norvegicus (Rat) | 386 |
113159 | 5-hydroxytryptamine receptor 1D | P79400 | HTR1D | Sus scrofa (Pig) | 291 |
113162 | 5-hydroxytryptamine receptor 2A | Q75Z89 | HTR2A | Bos taurus (Bovine) | 470 |
113160 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
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