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Name | CHEMBL2043431 |
---|---|
Molecular formula | C22H23N3O3 |
IUPAC name | N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
Molecular weight | 377.444 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | SCHEMBL3206398 BDBM50385639 BLFYHCYJCRNVIH-GOEBONIOSA-N N-((1R,3S)-3-(1H-benzo[d]imidazol-2-yl)cyclohexyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide |
Inchi Key | BLFYHCYJCRNVIH-GOEBONIOSA-N |
Inchi ID | InChI=1S/C22H23N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-2,6-9,13-14,16H,3-5,10-12H2,(H,23,26)(H,24,25)/t14-,16+/m0/s1 |
PubChem CID | 59174944 |
ChEMBL | CHEMBL2043431 |
IUPHAR | N/A |
BindingDB | 50385639 |
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 |
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26514 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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