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Name | CHEMBL514764 |
---|---|
Molecular formula | C29H25F3N2O2 |
IUPAC name | N-[(2S)-2-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide |
Molecular weight | 490.526 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 6.2 |
Synonyms | BDBM50277298 SCHEMBL13591523 (S)-N-(2-(furan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl)-6-methyl-4''-(trifluoromethyl)biphenyl-2-carboxamide |
Inchi Key | HYQMTHNENKITBQ-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C29H25F3N2O2/c1-18-4-2-6-26(27(18)19-7-10-22(11-8-19)29(30,31)32)28(35)34-23-12-9-20-14-24(16-21(20)15-23)33-17-25-5-3-13-36-25/h2-13,15,24,33H,14,16-17H2,1H3,(H,34,35)/t24-/m0/s1 |
PubChem CID | 24797802 |
ChEMBL | CHEMBL514764 |
IUPHAR | N/A |
BindingDB | 50277298 |
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 |
---|---|---|---|---|---|
127275 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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