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Name | MLS000418558 |
---|---|
Molecular formula | C28H35N5O3 |
IUPAC name | N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide |
Molecular weight | 489.62 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | CHEMBL1981990 SMR000265007 MLS002637254 BDBM90191 N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-cyclopenten-1-yl]methylideneamino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide [ Show all ] |
Inchi Key | KMLXHMAYCCRLRY-UKCKPQGZSA-N |
Inchi ID | InChI=1S/C28H35N5O3/c1-4-32(5-2)25-11-6-21(7-12-25)18-22-8-9-23(27(22)33-14-16-36-17-15-33)19-29-30-28(35)24-10-13-26(34)31(3)20-24/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,35)/b22-18+,29-19+ |
PubChem CID | 9662775 |
ChEMBL | CHEMBL1981990 |
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 |
---|---|---|---|---|---|
172774 | Thyrotropin-releasing hormone receptor | P34981 | TRHR | Homo sapiens (Human) | 398 |
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