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Name | CHEMBL1784934 |
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Molecular formula | C40H57N7O5S |
IUPAC name | 5-(dimethylamino)-N-[5-[2-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7a-yl]ethylamino]pentyl]naphthalene-1-sulfonamide |
Molecular weight | 748.0 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 5.0 |
Synonyms | BDBM50345698 5-(Dimethylamino)-N-[5-({2-[2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-7a(5H)-yl]ethyl}amino)pentyl]naphthalene-1-sulfonamide |
Inchi Key | AIYJDZKQHORDMD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C40H57N7O5S/c1-43(2)34-17-11-15-33-32(34)14-12-19-37(33)53(50,51)42-23-8-4-7-22-41-24-21-40-20-13-27-47(40)39(49)46(38(40)48)26-10-9-25-44-28-30-45(31-29-44)35-16-5-6-18-36(35)52-3/h5-6,11-12,14-19,41-42H,4,7-10,13,20-31H2,1-3H3 |
PubChem CID | 54582467 |
ChEMBL | CHEMBL1784934 |
IUPHAR | N/A |
BindingDB | 50345698 |
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 |
---|---|---|---|---|---|
6648 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
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