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Name | CHEMBL473892 |
---|---|
Molecular formula | C29H24F3N3O |
IUPAC name | N-[2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide |
Molecular weight | 487.526 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.7 |
Synonyms | BDBM50277221 rac-N-(2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4''-(trifluoromethyl)biphenyl-2-carboxamide |
Inchi Key | FQVISFRAFHXJCA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H24F3N3O/c30-29(31,32)22-11-8-19(9-12-22)26-6-1-2-7-27(26)28(36)35-23-13-10-20-15-25(17-21(20)16-23)34-18-24-5-3-4-14-33-24/h1-14,16,25,34H,15,17-18H2,(H,35,36) |
PubChem CID | 44591290 |
ChEMBL | CHEMBL473892 |
IUPHAR | N/A |
BindingDB | 50277221 |
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 |
---|---|---|---|---|---|
85114 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
85115 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
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