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Name | CHEMBL473897 |
---|---|
Molecular formula | C30H26F3N3O |
IUPAC name | 3-methyl-N-[(2S)-2-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide |
Molecular weight | 501.553 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 6.0 |
Synonyms | BDBM50277259 SCHEMBL13591535 (S)-6-methyl-N-(2-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-4''-(trifluoromethyl)biphenyl-2-carboxamide |
Inchi Key | CMBJQLGVMBRAFD-SANMLTNESA-N |
Inchi ID | InChI=1S/C30H26F3N3O/c1-19-3-2-4-27(28(19)21-5-8-24(9-6-21)30(31,32)33)29(37)36-25-10-7-22-15-26(17-23(22)16-25)35-18-20-11-13-34-14-12-20/h2-14,16,26,35H,15,17-18H2,1H3,(H,36,37)/t26-/m0/s1 |
PubChem CID | 24797980 |
ChEMBL | CHEMBL473897 |
IUPHAR | N/A |
BindingDB | 50277259 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
45184 | Smoothened homolog | Q99835 | SMO | Homo sapiens (Human) | 787 |
45185 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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